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

C11H9NO2 — CID 123578795

IUPAC4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one
SMILESC=Cc1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C11H9NO2/c1-2-9-10(12-14-11(9)13)8-6-4-3-5-7-8/h2-7,12H,1H2
InChIKeyMXERCDGPKDWMER-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.28
Rot. Bonds2

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

4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 123578795) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one
PubChem CID123578795
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one
SMILESC=Cc1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C11H9NO2/c1-2-9-10(12-14-11(9)13)8-6-4-3-5-7-8/h2-7,12H,1H2
InChIKeyMXERCDGPKDWMER-UHFFFAOYSA-N
XLogP2.28
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-4-(1-phenylbut-3-enyl)-2H-1,2-oxazol-5-one
CID 11380755
4-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)diazenyl]-3-phenyl-2H-1,2-oxazol-5-one
CID 165341158
3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one
CID 14955905
4-benzyl-3-phenyl-2H-1,2-oxazol-5-one
CID 13199480
3-[(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)methylideneamino]benzoate
CID 135830778
4-[(2-methyl-4-nitrophenyl)iminomethyl]-3-phenyl-2H-1,2-oxazol-5-one
CID 171984265
4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
CID 13199481
3-ethenyl-4-phenylchromen-2-one
CID 24787269
4-[(4-methoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
CID 13199482
benzene;1,1'-biphenyl;ethenamine
CID 174584589
4-[[3,5-bis(trifluoromethyl)phenyl]diazenyl]-3-phenyl-2H-1,2-oxazol-5-one
CID 2726247
ethane;3-(5-methylsulfonyl-1H-pyrrol-3-yl)-4-phenyl-2H-1,2-oxazol-5-one
CID 90741376

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one (CID 123578795) is 4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one is C=Cc1c(-c2ccccc2)[nH]oc1=O.
What is the InChIKey of 4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is MXERCDGPKDWMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-2-9-10(12-14-11(9)13)8-6-4-3-5-7-8/h2-7,12H,1H2.
What are the key properties of 4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one?
4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one has a molecular weight of 187.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-phenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 123578795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).