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3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole

Systemtic Name:	3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
Openeye Name:	3-cyclohexyl-5-[1-(4-piperidyl)pyrazol-4-yl]isoxazole
CAS Name:	3-cyclohexyl-5-[1-(4-piperidinyl)-4-pyrazolyl]isoxazole
IUPAC Name:	3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
Traditional Name:	3-cyclohexyl-5-[1-(4-piperidyl)pyrazol-4-yl]isoxazole
Formula:	C₁₇H₂₄N₄O
MolecularWeight:	300.39866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NOC(=C2)C3=CN(N=C3)C4CCNCC4

Isomeric SMILES

C1CCC(CC1)C2=NOC(=C2)C3=CN(N=C3)C4CCNCC4

InChI

InChI=1S/C17H24N4O/c1-2-4-13(5-3-1)16-10-17(22-20-16)14-11-19-21(12-14)15-6-8-18-9-7-15/h10-13,15,18H,1-9H2

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[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-4-[[3-[2-[2-[[(2R,3S,4R,5R,6R)-5-azanyl-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylsulfamoyl]ethylsulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[2-[[(2R,3S,4R,5R,6R)-5-azanyl-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylamino]-2-oxidanylidene-ethyl]sulfinylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
2-methyl-5-[4-(4-methylphenyl)butyl]-1,3-dioxane-2-carboxylic acid
5-[4-(4-fluorophenyl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-4-[[3-[2-[2-[[(2R,3S,4R,5R,6R)-5-azanyl-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylamino]-2-oxidanylidene-ethyl]sulfinylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[3-[[(2R,3S,4R,5R,6R)-5-azanyl-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylamino]-3-oxidanylidene-propyl]sulfinylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
2-methyl-5-[4-(4-methylsulfanylphenyl)butyl]-1,3-dioxane-2-carboxylic acid
5-[4-(4-methoxyphenyl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-4-[[3-[2-[3-[[(2R,3S,4R,5R,6R)-5-azanyl-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylamino]-3-oxidanylidene-propyl]sulfinylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[2-[[(2R,3S,4R,5R,6R)-5-azanyl-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylamino]-2-oxidanylidene-ethyl]sulfonylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] hydrogen phosphate