4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one

C12H11NO2 — CID 121011059

IUPAC4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one
SMILESCC(C)=C1N=C(c2ccccc2)C(=O)O1
InChIInChI=1S/C12H11NO2/c1-8(2)11-13-10(12(14)15-11)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyGGRJMQOGMOWWQW-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.28
Rot. Bonds1

About 4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one

4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one (PubChem CID 121011059) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one
PubChem CID121011059
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one
SMILESCC(C)=C1N=C(c2ccccc2)C(=O)O1
InChIInChI=1S/C12H11NO2/c1-8(2)11-13-10(12(14)15-11)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyGGRJMQOGMOWWQW-UHFFFAOYSA-N
XLogP2.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one?
The IUPAC name of 4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one (CID 121011059) is 4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one.
What is the SMILES notation for 4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one?
The canonical SMILES for 4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one is CC(C)=C1N=C(c2ccccc2)C(=O)O1.
What is the InChIKey of 4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one?
The InChIKey is GGRJMQOGMOWWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(2)11-13-10(12(14)15-11)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one?
4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one has a molecular weight of 201.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-ylidene-1,3-oxazol-5-one is sourced from PubChem (CID 121011059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).