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

C12H11NO3 — CID 27435

IUPAC4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one
SMILESCCOC=C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeySJHPCNCNNSSLPL-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.87
Rot. Bonds3

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

4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one (PubChem CID 27435) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one
PubChem CID27435
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one
SMILESCCOC=C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeySJHPCNCNNSSLPL-UHFFFAOYSA-N
XLogP1.87
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Oxazolone
CID 1712094
Azlactone
CID 65073
(E)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
CID 1712093
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 704134
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
4-(3-Fluoro-benzylidene)-2-p-tolyl-4H-oxazol-5-one
CID 1733419
2-(4-Fluoro-phenyl)-4-(3-phenyl-allylidene)-4H-oxazol-5-one
CID 1921332
(4Z)-4-(1-methyl-2-pyridinylidene)-2-phenyl-1,3-oxazol-5-one
CID 6078227
(4Z)-4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 704135
2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5(4H)-one
CID 5384655

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one (CID 27435) is 4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one is CCOC=C1N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is SJHPCNCNNSSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one?
4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 217.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 27435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).