N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide

C12H12N2O3 — CID 95027054

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccon1
InChIInChI=1S/C12H12N2O3/c15-8-11(9-4-2-1-3-5-9)13-12(16)10-6-7-17-14-10/h1-7,11,15H,8H2,(H,13,16)/t11-/m1/s1
InChIKeyJFMRFOYDMRXNSQ-LLVKDONJSA-N
MW232.24 g/mol
LogP1.14
Rot. Bonds4

About N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 95027054) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide
PubChem CID95027054
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccon1
InChIInChI=1S/C12H12N2O3/c15-8-11(9-4-2-1-3-5-9)13-12(16)10-6-7-17-14-10/h1-7,11,15H,8H2,(H,13,16)/t11-/m1/s1
InChIKeyJFMRFOYDMRXNSQ-LLVKDONJSA-N
XLogP1.14
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 114300229
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
6-chloro-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 55160768
N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
CID 113258885
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 113356455
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide (CID 95027054) is N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide is O=C(N[C@H](CO)c1ccccc1)c1ccon1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JFMRFOYDMRXNSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-8-11(9-4-2-1-3-5-9)13-12(16)10-6-7-17-14-10/h1-7,11,15H,8H2,(H,13,16)/t11-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95027054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).