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

C11H9NO2 — CID 22316930

IUPAC1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C11H9NO2/c1-8(13)9-2-4-10(5-3-9)11-6-12-7-14-11/h2-7H,1H3
InChIKeyAGHWGPKGIWWOOR-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.54
Rot. Bonds2

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

1-[4-(1,3-oxazol-5-yl)phenyl]ethanone (PubChem CID 22316930) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-[4-(1,3-oxazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
PubChem CID22316930
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C11H9NO2/c1-8(13)9-2-4-10(5-3-9)11-6-12-7-14-11/h2-7H,1H3
InChIKeyAGHWGPKGIWWOOR-UHFFFAOYSA-N
XLogP2.54
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-oxazol-5-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(1,3-oxazol-5-yl)phenyl]ethanone (CID 22316930) is 1-[4-(1,3-oxazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1,3-oxazol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1,3-oxazol-5-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cnco2)cc1.
What is the InChIKey of 1-[4-(1,3-oxazol-5-yl)phenyl]ethanone?
The InChIKey is AGHWGPKGIWWOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8(13)9-2-4-10(5-3-9)11-6-12-7-14-11/h2-7H,1H3.
What are the key properties of 1-[4-(1,3-oxazol-5-yl)phenyl]ethanone?
1-[4-(1,3-oxazol-5-yl)phenyl]ethanone has a molecular weight of 187.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-oxazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 22316930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).