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

C12H11NO2 — CID 125478569

IUPAC1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)c1oc(C)nc1-c1ccccc1
InChIInChI=1S/C12H11NO2/c1-8(14)12-11(13-9(2)15-12)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyKNRCSQWGPVLOIM-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.85
Rot. Bonds2

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

1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone (PubChem CID 125478569) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone
PubChem CID125478569
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)c1oc(C)nc1-c1ccccc1
InChIInChI=1S/C12H11NO2/c1-8(14)12-11(13-9(2)15-12)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyKNRCSQWGPVLOIM-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone (CID 125478569) is 1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone is CC(=O)c1oc(C)nc1-c1ccccc1.
What is the InChIKey of 1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone?
The InChIKey is KNRCSQWGPVLOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(14)12-11(13-9(2)15-12)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone?
1-(2-methyl-4-phenyl-1,3-oxazol-5-yl)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-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 125478569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).