1,3-oxazol-5-yl(phenyl)methanone

C10H7NO2 — CID 11701120

IUPAC1,3-oxazol-5-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cnco1
InChIInChI=1S/C10H7NO2/c12-10(9-6-11-7-13-9)8-4-2-1-3-5-8/h1-7H
InChIKeyJPUHJXOZBGBKEH-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.91
Rot. Bonds2

About 1,3-oxazol-5-yl(phenyl)methanone

1,3-oxazol-5-yl(phenyl)methanone (PubChem CID 11701120) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 1,3-oxazol-5-yl(phenyl)methanone.

Molecular Properties

Compound Name1,3-oxazol-5-yl(phenyl)methanone
PubChem CID11701120
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name1,3-oxazol-5-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cnco1
InChIInChI=1S/C10H7NO2/c12-10(9-6-11-7-13-9)8-4-2-1-3-5-8/h1-7H
InChIKeyJPUHJXOZBGBKEH-UHFFFAOYSA-N
XLogP1.91
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminophenyl)-(1,3-oxazol-5-yl)methanone
CID 130056733
(5-benzoylfuran-2-yl)-phenylmethanone
CID 22336637
diphenylmethanone
CID 3102
N-ethyl-N-phenyl-1,3-oxazole-5-carboxamide
CID 110857869
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium
CID 4004269
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;hydron;fluoride
CID 21465824
diphenylmethanone;ethane
CID 158014879

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-yl(phenyl)methanone?
The IUPAC name of 1,3-oxazol-5-yl(phenyl)methanone (CID 11701120) is 1,3-oxazol-5-yl(phenyl)methanone.
What is the SMILES notation for 1,3-oxazol-5-yl(phenyl)methanone?
The canonical SMILES for 1,3-oxazol-5-yl(phenyl)methanone is O=C(c1ccccc1)c1cnco1.
What is the InChIKey of 1,3-oxazol-5-yl(phenyl)methanone?
The InChIKey is JPUHJXOZBGBKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-10(9-6-11-7-13-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 1,3-oxazol-5-yl(phenyl)methanone?
1,3-oxazol-5-yl(phenyl)methanone has a molecular weight of 173.17 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-yl(phenyl)methanone is sourced from PubChem (CID 11701120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).