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

C12H11NO2 — CID 115022186

IUPAC1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nc(C)co2)c1
InChIInChI=1S/C12H11NO2/c1-8-7-15-12(13-8)11-5-3-4-10(6-11)9(2)14/h3-7H,1-2H3
InChIKeyCYVFMOMORLSQDN-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.85
Rot. Bonds2

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

1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone (PubChem CID 115022186) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone
PubChem CID115022186
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nc(C)co2)c1
InChIInChI=1S/C12H11NO2/c1-8-7-15-12(13-8)11-5-3-4-10(6-11)9(2)14/h3-7H,1-2H3
InChIKeyCYVFMOMORLSQDN-UHFFFAOYSA-N
XLogP2.85
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(3-nitrophenyl)-1,3-oxazole;3-nitrobenzamide
CID 158350856
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 82468640
2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120550999
1-chloropropan-2-one;3-(isocyanomethyl)benzamide;2-[3-(isocyanomethyl)phenyl]-4-methyl-1,3-oxazole
CID 160932599
3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide
CID 110025780
4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 136514551
2-methyl-3-[methyl-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122086674
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71853136
3-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119808886
4-methoxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 119808907
(2S,4S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120636893
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119337937

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone (CID 115022186) is 1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone is CC(=O)c1cccc(-c2nc(C)co2)c1.
What is the InChIKey of 1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone?
The InChIKey is CYVFMOMORLSQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-7-15-12(13-8)11-5-3-4-10(6-11)9(2)14/h3-7H,1-2H3.
What are the key properties of 1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone?
1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone has a molecular weight of 201.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone is sourced from PubChem (CID 115022186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).