(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one

C21H16ClNO3 — CID 6534115

IUPAC(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C/C=C1/N=C(/C=C/c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C21H16ClNO3/c1-25-19-8-3-2-5-16(19)6-4-7-18-21(24)26-20(23-18)14-11-15-9-12-17(22)13-10-15/h2-14H,1H3/b6-4+,14-11+,18-7+
InChIKeyWWOXPBKTIHRVCV-ISNHSJIUSA-N
MW365.82 g/mol
LogP4.91
Rot. Bonds5

About (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one

(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one (PubChem CID 6534115) has the molecular formula C21H16ClNO3 and a molecular weight of 365.82 g/mol. Its IUPAC name is (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
PubChem CID6534115
Molecular FormulaC21H16ClNO3
Molecular Weight365.82 g/mol
Exact Mass365.08
IUPAC Name(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C/C=C1/N=C(/C=C/c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C21H16ClNO3/c1-25-19-8-3-2-5-16(19)6-4-7-18-21(24)26-20(23-18)14-11-15-9-12-17(22)13-10-15/h2-14H,1H3/b6-4+,14-11+,18-7+
InChIKeyWWOXPBKTIHRVCV-ISNHSJIUSA-N
XLogP4.91
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one (CID 6534115) is (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one is COc1ccccc1/C=C/C=C1/N=C(/C=C/c2ccc(Cl)cc2)OC1=O.
What is the InChIKey of (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one?
The InChIKey is WWOXPBKTIHRVCV-ISNHSJIUSA-N. The full InChI is InChI=1S/C21H16ClNO3/c1-25-19-8-3-2-5-16(19)6-4-7-18-21(24)26-20(23-18)14-11-15-9-12-17(22)13-10-15/h2-14H,1H3/b6-4+,14-11+,18-7+.
What are the key properties of (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one?
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one has a molecular weight of 365.82 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6534115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).