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

C21H17NO3 — CID 7262385

IUPAC(4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C/C1=N/C(=C\C=C/c2ccccc2)C(=O)O1
InChIInChI=1S/C21H17NO3/c1-24-19-13-6-5-11-17(19)14-15-20-22-18(21(23)25-20)12-7-10-16-8-3-2-4-9-16/h2-15H,1H3/b10-7-,15-14+,18-12-
InChIKeyNRMFNYCMDKFRDD-AFQBDUBXSA-N
MW331.37 g/mol
LogP4.26
Rot. Bonds5

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

(4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (PubChem CID 7262385) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is (4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
PubChem CID7262385
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name(4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C/C1=N/C(=C\C=C/c2ccccc2)C(=O)O1
InChIInChI=1S/C21H17NO3/c1-24-19-13-6-5-11-17(19)14-15-20-22-18(21(23)25-20)12-7-10-16-8-3-2-4-9-16/h2-15H,1H3/b10-7-,15-14+,18-12-
InChIKeyNRMFNYCMDKFRDD-AFQBDUBXSA-N
XLogP4.26
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.26
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 (4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (CID 7262385) is (4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is COc1ccccc1/C=C/C1=N/C(=C\C=C/c2ccccc2)C(=O)O1.
What is the InChIKey of (4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The InChIKey is NRMFNYCMDKFRDD-AFQBDUBXSA-N. The full InChI is InChI=1S/C21H17NO3/c1-24-19-13-6-5-11-17(19)14-15-20-22-18(21(23)25-20)12-7-10-16-8-3-2-4-9-16/h2-15H,1H3/b10-7-,15-14+,18-12-.
What are the key properties of (4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
(4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one has a molecular weight of 331.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(Z)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 7262385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).