N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide

C13H14N2O3 — CID 79881793

IUPACN-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C13H14N2O3/c1-9-12(18-8-15-9)13(17)14-7-11(16)10-5-3-2-4-6-10/h2-6,8,11,16H,7H2,1H3,(H,14,17)
InChIKeyNOGRYZSGCVCVTE-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.45
Rot. Bonds4

About N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide

N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 79881793) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID79881793
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C13H14N2O3/c1-9-12(18-8-15-9)13(17)14-7-11(16)10-5-3-2-4-6-10/h2-6,8,11,16H,7H2,1H3,(H,14,17)
InChIKeyNOGRYZSGCVCVTE-UHFFFAOYSA-N
XLogP1.45
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 83619478
N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43394006
N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106288404
6-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-2-methylpyridine-3-carboxamide
CID 95286219
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 107157028
5-ethyl-N-(2-hydroxy-2-phenylethyl)furan-2-carboxamide
CID 43427837
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
CID 107097712
2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate
CID 7189543
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 79881793) is N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is NOGRYZSGCVCVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-12(18-8-15-9)13(17)14-7-11(16)10-5-3-2-4-6-10/h2-6,8,11,16H,7H2,1H3,(H,14,17).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79881793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).