(4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

C20H15NO2 — CID 6385545

IUPAC(4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccccc2)=N/C1=C\C=C\c1ccccc1
InChIInChI=1S/C20H15NO2/c22-20-18(13-7-12-16-8-3-1-4-9-16)21-19(23-20)15-14-17-10-5-2-6-11-17/h1-15H/b12-7+,15-14+,18-13-
InChIKeyCQLPNSSOUAVJOB-DWVGNRLYSA-N
MW301.35 g/mol
LogP4.25
Rot. Bonds4

About (4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

(4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (PubChem CID 6385545) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
PubChem CID6385545
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name(4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccccc2)=N/C1=C\C=C\c1ccccc1
InChIInChI=1S/C20H15NO2/c22-20-18(13-7-12-16-8-3-1-4-9-16)21-19(23-20)15-14-17-10-5-2-6-11-17/h1-15H/b12-7+,15-14+,18-13-
InChIKeyCQLPNSSOUAVJOB-DWVGNRLYSA-N
XLogP4.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.25
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)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (CID 6385545) is (4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is O=C1OC(/C=C/c2ccccc2)=N/C1=C\C=C\c1ccccc1.
What is the InChIKey of (4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The InChIKey is CQLPNSSOUAVJOB-DWVGNRLYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-20-18(13-7-12-16-8-3-1-4-9-16)21-19(23-20)15-14-17-10-5-2-6-11-17/h1-15H/b12-7+,15-14+,18-13-.
What are the key properties of (4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
(4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one has a molecular weight of 301.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6385545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).