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

C13H13NO2 — CID 19596259

IUPAC1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C13H13NO2/c1-8-13(10(3)16-14-8)12-6-4-11(5-7-12)9(2)15/h4-7H,1-3H3
InChIKeyNDURMRZBGXFIPU-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.16
Rot. Bonds2

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

1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone (PubChem CID 19596259) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone
PubChem CID19596259
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C13H13NO2/c1-8-13(10(3)16-14-8)12-6-4-11(5-7-12)9(2)15/h4-7H,1-3H3
InChIKeyNDURMRZBGXFIPU-UHFFFAOYSA-N
XLogP3.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone (CID 19596259) is 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone is CC(=O)c1ccc(-c2c(C)noc2C)cc1.
What is the InChIKey of 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone?
The InChIKey is NDURMRZBGXFIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-13(10(3)16-14-8)12-6-4-11(5-7-12)9(2)15/h4-7H,1-3H3.
What are the key properties of 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone?
1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone has a molecular weight of 215.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 19596259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).