2-[(2S)-2-azanyl-3-methyl-1-oxidanyl-butyl]-1,3-benzoxazole-5-carbonitrile

Systemtic Name: 2-[(2S)-2-azanyl-3-methyl-1-oxidanyl-butyl]-1,3-benzoxazole-5-carbonitrile Openeye Name: 2-[(2S)-2-amino-1-hydroxy-3-methyl-butyl]-1,3-benzoxazole-5-carbonitrile CAS Name: 2-[(2S)-2-amino-1-hydroxy-3-methylbutyl]-1,3-benzoxazole-5-carbonitrile IUPAC Name: 2-[(2S)-2-amino-1-hydroxy-3-methylbutyl]-1,3-benzoxazole-5-carbonitrile Traditional Name: 2-[(2S)-2-amino-1-hydroxy-3-methyl-butyl]-1,3-benzoxazole-5-carbonitrile Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=NC2=C(O1)C=CC(=C2)C#N)O)N

Isomeric SMILES

CC(C)[C@@H](C(C1=NC2=C(O1)C=CC(=C2)C#N)O)N

InChI

InChI=1S/C13H15N3O2/c1-7(2)11(15)12(17)13-16-9-5-8(6-14)3-4-10(9)18-13/h3-5,7,11-12,17H,15H2,1-2H3/t11-,12?/m0/s1