4-ethyl-5-phenyl-1,2-oxazol-3-one

C11H11NO2 — CID 13454114

IUPAC4-ethyl-5-phenyl-1,2-oxazol-3-one
SMILESCCc1c(-c2ccccc2)o[nH]c1=O
InChIInChI=1S/C11H11NO2/c1-2-9-10(14-12-11(9)13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13)
InChIKeyWUTUVZHGXKVTDE-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.20
Rot. Bonds2

About 4-ethyl-5-phenyl-1,2-oxazol-3-one

4-ethyl-5-phenyl-1,2-oxazol-3-one (PubChem CID 13454114) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-ethyl-5-phenyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-phenyl-1,2-oxazol-3-one
PubChem CID13454114
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-ethyl-5-phenyl-1,2-oxazol-3-one
SMILESCCc1c(-c2ccccc2)o[nH]c1=O
InChIInChI=1S/C11H11NO2/c1-2-9-10(14-12-11(9)13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13)
InChIKeyWUTUVZHGXKVTDE-UHFFFAOYSA-N
XLogP2.20
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-diethyl-1,4-diphenylbenzene
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5-ethyl-3-methyl-2-phenylpyran-4-one
CID 22891668
2-ethyl-3,5-dimethyl-6-phenylpyran-4-one
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4-benzyl-3-oxo-1,2-oxazole-5-carboxylic acid
CID 105473498
3-tert-butyl-5-ethyl-4-phenyl-1H-pyridazin-6-one
CID 134912958
4-ethyl-1,2-benzoxazol-3-one
CID 125426106
7-ethyl-1,2-benzoxazol-3-one
CID 125425410
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
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3-phenyl-4-propylisochromen-1-one
CID 177394778

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-phenyl-1,2-oxazol-3-one?
The IUPAC name of 4-ethyl-5-phenyl-1,2-oxazol-3-one (CID 13454114) is 4-ethyl-5-phenyl-1,2-oxazol-3-one.
What is the SMILES notation for 4-ethyl-5-phenyl-1,2-oxazol-3-one?
The canonical SMILES for 4-ethyl-5-phenyl-1,2-oxazol-3-one is CCc1c(-c2ccccc2)o[nH]c1=O.
What is the InChIKey of 4-ethyl-5-phenyl-1,2-oxazol-3-one?
The InChIKey is WUTUVZHGXKVTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-9-10(14-12-11(9)13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13).
What are the key properties of 4-ethyl-5-phenyl-1,2-oxazol-3-one?
4-ethyl-5-phenyl-1,2-oxazol-3-one has a molecular weight of 189.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-phenyl-1,2-oxazol-3-one is sourced from PubChem (CID 13454114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).