N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide

C12H12N2O2 — CID 96586898

IUPACN-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnco1)c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-12(15)11-7-13-8-16-11/h2-9H,1H3,(H,14,15)/t9-/m1/s1
InChIKeyYPMQQHCCLPFZID-SECBINFHSA-N
MW216.24 g/mol
LogP2.17
Rot. Bonds3

About N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide

N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide (PubChem CID 96586898) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide
PubChem CID96586898
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnco1)c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-12(15)11-7-13-8-16-11/h2-9H,1H3,(H,14,15)/t9-/m1/s1
InChIKeyYPMQQHCCLPFZID-SECBINFHSA-N
XLogP2.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1-phenylethyl)furan-2-carboxamide
CID 110850967
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide
CID 90651379
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
5-amino-N-(1-phenylethyl)furan-2-carboxamide
CID 82344125
N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid
CID 59356740
5-bromo-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610246
5-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 51427238

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide (CID 96586898) is N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide is C[C@@H](NC(=O)c1cnco1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is YPMQQHCCLPFZID-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-12(15)11-7-13-8-16-11/h2-9H,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide?
N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 96586898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).