(4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one

C11H9NO2 — CID 5369557

IUPAC(4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one
SMILESC/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C11H9NO2/c1-2-9-11(13)14-10(12-9)8-6-4-3-5-7-8/h2-7H,1H3/b9-2-
InChIKeyHEGNHTODZSHTKS-MBXJOHMKSA-N
MW187.20 g/mol
LogP1.89
Rot. Bonds1

About (4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one

(4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one (PubChem CID 5369557) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is (4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one
PubChem CID5369557
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name(4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one
SMILESC/C=C1\N=C(c2ccccc2)OC1=O
InChIInChI=1S/C11H9NO2/c1-2-9-11(13)14-10(12-9)8-6-4-3-5-7-8/h2-7H,1H3/b9-2-
InChIKeyHEGNHTODZSHTKS-MBXJOHMKSA-N
XLogP1.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one (CID 5369557) is (4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one is C/C=C1\N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one?
The InChIKey is HEGNHTODZSHTKS-MBXJOHMKSA-N. The full InChI is InChI=1S/C11H9NO2/c1-2-9-11(13)14-10(12-9)8-6-4-3-5-7-8/h2-7H,1H3/b9-2-.
What are the key properties of (4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one has a molecular weight of 187.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 5369557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).