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

C11H11NO2 — CID 13149000

IUPAC4-ethyl-2-phenyl-4H-1,3-oxazol-5-one
SMILESCCC1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C11H11NO2/c1-2-9-11(13)14-10(12-9)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyFKUAKLYXSKBONR-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.77
Rot. Bonds2

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

4-ethyl-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 13149000) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-ethyl-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-ethyl-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID13149000
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-ethyl-2-phenyl-4H-1,3-oxazol-5-one
SMILESCCC1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C11H11NO2/c1-2-9-11(13)14-10(12-9)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyFKUAKLYXSKBONR-UHFFFAOYSA-N
XLogP1.77
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-ethyl-2-phenyl-4H-1,3-oxazol-5-one (CID 13149000) is 4-ethyl-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-ethyl-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-ethyl-2-phenyl-4H-1,3-oxazol-5-one is CCC1N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-ethyl-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is FKUAKLYXSKBONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-9-11(13)14-10(12-9)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of 4-ethyl-2-phenyl-4H-1,3-oxazol-5-one?
4-ethyl-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 13149000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).