3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine

C21H25N3O — CID 24971427

IUPAC3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
SMILESCC1CCCCC1c1noc2cnc(N[C@@H](C)c3ccccc3)cc12
InChIInChI=1S/C21H25N3O/c1-14-8-6-7-11-17(14)21-18-12-20(22-13-19(18)25-24-21)23-15(2)16-9-4-3-5-10-16/h3-5,9-10,12-15,17H,6-8,11H2,1-2H3,(H,22,23)/t14?,15-,17?/m0/s1
InChIKeyRRBCORZOVOSGLG-CKDBGZEDSA-N
MW335.45 g/mol
LogP5.69
Rot. Bonds4

About 3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine

3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine (PubChem CID 24971427) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine.

Molecular Properties

Compound Name3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
PubChem CID24971427
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
SMILESCC1CCCCC1c1noc2cnc(N[C@@H](C)c3ccccc3)cc12
InChIInChI=1S/C21H25N3O/c1-14-8-6-7-11-17(14)21-18-12-20(22-13-19(18)25-24-21)23-15(2)16-9-4-3-5-10-16/h3-5,9-10,12-15,17H,6-8,11H2,1-2H3,(H,22,23)/t14?,15-,17?/m0/s1
InChIKeyRRBCORZOVOSGLG-CKDBGZEDSA-N
XLogP5.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine with MolForge

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Related Compounds

3-(3-chloro-5-(5-(((1S)-1-phenylethyl)amino)isoxazolo(5,4-c)pyridin-3-yl)phenyl)propan-1-ol
CID 24941248
3-(1,3-Benzodioxol-5-yl)-N-[(1S)-1-phenylethyl]-isoxazolo[5,4-c]pyridin-5-amine
CID 24971422
N-(4-methyl-3-(3-(piperidin-4-yl)benzo[d]isoxazol-6-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide
CID 44580077
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971417
3-(3,5-dimethylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971419
3-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971420
3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}pyrido[4,3-d][1,2]oxazol-3-yl)phenyl]propanamide
CID 24971423
3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971426
N-(4-methyl-3-(3-methylbenzo[d]isoxazol-5-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide
CID 44580730
(2S)-3-[4-[3-[[(4-methyl-2-pyridinyl)amino]methyl]-1,2-oxazol-5-yl]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 46226905
N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide
CID 155813831
3-phenyl-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971416

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The IUPAC name of 3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine (CID 24971427) is 3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine.
What is the SMILES notation for 3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The canonical SMILES for 3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine is CC1CCCCC1c1noc2cnc(N[C@@H](C)c3ccccc3)cc12.
What is the InChIKey of 3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The InChIKey is RRBCORZOVOSGLG-CKDBGZEDSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-8-6-7-11-17(14)21-18-12-20(22-13-19(18)25-24-21)23-15(2)16-9-4-3-5-10-16/h3-5,9-10,12-15,17H,6-8,11H2,1-2H3,(H,22,23)/t14?,15-,17?/m0/s1.
What are the key properties of 3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine has a molecular weight of 335.45 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine is sourced from PubChem (CID 24971427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).