3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one

C12H11NO3 — CID 14955905

IUPAC3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one
SMILESCCC(=O)c1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C12H11NO3/c1-2-9(14)10-11(13-16-12(10)15)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3
InChIKeyPPXWEEPZTHQVPX-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.23
Rot. Bonds3

About 3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one

3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one (PubChem CID 14955905) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one
PubChem CID14955905
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one
SMILESCCC(=O)c1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C12H11NO3/c1-2-9(14)10-11(13-16-12(10)15)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3
InChIKeyPPXWEEPZTHQVPX-UHFFFAOYSA-N
XLogP2.23
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one
CID 123578795
4-propanoyl-3-propyl-2H-1,2-oxazol-5-one
CID 14955904
4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one
CID 165341158
4-benzyl-3-phenyl-2H-1,2-oxazol-5-one
CID 13199480
4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
CID 13199481
1-(5-phenylfuran-2-yl)propan-1-one
CID 62631331
4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
CID 13199482
1-phenyl(111C)propan-1-one
CID 11159350
3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one
CID 11380755
1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one
CID 102351912
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one?
The IUPAC name of 3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one (CID 14955905) is 3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one is CCC(=O)c1c(-c2ccccc2)[nH]oc1=O.
What is the InChIKey of 3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one?
The InChIKey is PPXWEEPZTHQVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-9(14)10-11(13-16-12(10)15)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3.
What are the key properties of 3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one?
3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one has a molecular weight of 217.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 14955905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).