1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone

C13H13NO3 — CID 118567262

IUPAC1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1c(C)noc1-c1ccc(CO)cc1
InChIInChI=1S/C13H13NO3/c1-8-12(9(2)16)13(17-14-8)11-5-3-10(7-15)4-6-11/h3-6,15H,7H2,1-2H3
InChIKeyHBXBOGRBXJZPFV-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.34
Rot. Bonds3

About 1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone

1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone (PubChem CID 118567262) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone
PubChem CID118567262
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1c(C)noc1-c1ccc(CO)cc1
InChIInChI=1S/C13H13NO3/c1-8-12(9(2)16)13(17-14-8)11-5-3-10(7-15)4-6-11/h3-6,15H,7H2,1-2H3
InChIKeyHBXBOGRBXJZPFV-UHFFFAOYSA-N
XLogP2.34
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-3-phenylisoxazole-4-carboxylic acid
CID 14343
3,5-Dimethyl-4-phenylisoxazole
CID 5325760
(5-Phenyl-1,2-oxazol-3-yl)methanol
CID 1481082
3-Methyl-5-phenylisoxazole
CID 136804
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680
(3-Methyl-5-phenyl-isoxazol-4-yl)-methanol
CID 2776519
5-(4-Methylphenyl)isoxazole-3-carboxylic acid
CID 973883
5-Methyl-3-phenylisoxazole-4-carboxaldehyde
CID 2776144
5-Methyl-2-(3-phenyl-5-isoxazolyl)phenol
CID 873963
2-(3-Phenyl-5-isoxazolyl)phenol
CID 873352
2-(4-(3,5-Dimethylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10131968
(E)-3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazol-3-yl)acrylonitrile
CID 10134098

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone (CID 118567262) is 1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone is CC(=O)c1c(C)noc1-c1ccc(CO)cc1.
What is the InChIKey of 1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone?
The InChIKey is HBXBOGRBXJZPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-12(9(2)16)13(17-14-8)11-5-3-10(7-15)4-6-11/h3-6,15H,7H2,1-2H3.
What are the key properties of 1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone?
1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone has a molecular weight of 231.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(hydroxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 118567262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).