2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one

C22H14ClNO2 — CID 5011359

IUPAC2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(C=Cc2ccc(Cl)cc2)=NC1=Cc1cccc2ccccc12
InChIInChI=1S/C22H14ClNO2/c23-18-11-8-15(9-12-18)10-13-21-24-20(22(25)26-21)14-17-6-3-5-16-4-1-2-7-19(16)17/h1-14H
InChIKeyJWGWPSOTNFUVHR-UHFFFAOYSA-N
MW359.81 g/mol
LogP5.50
Rot. Bonds3

About 2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one

2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 5011359) has the molecular formula C22H14ClNO2 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
PubChem CID5011359
Molecular FormulaC22H14ClNO2
Molecular Weight359.81 g/mol
Exact Mass359.07
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(C=Cc2ccc(Cl)cc2)=NC1=Cc1cccc2ccccc12
InChIInChI=1S/C22H14ClNO2/c23-18-11-8-15(9-12-18)10-13-21-24-20(22(25)26-21)14-17-6-3-5-16-4-1-2-7-19(16)17/h1-14H
InChIKeyJWGWPSOTNFUVHR-UHFFFAOYSA-N
XLogP5.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.81
LogP ≤ 55.50
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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Related Compounds

(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 6260137
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 6534113
2-[2-(4-chlorophenyl)ethenyl]-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 5011360
4-[(4-chlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
CID 4202958
4-[(4-chlorophenyl)methylidene]-2-[2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5-one
CID 4216673
1-[2-(4-chlorophenyl)ethenyl]naphthalene
CID 85443671
(4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6390810
2-[2-(4-chlorophenyl)ethenyl]-4-(2-methyl-3-phenylprop-2-enylidene)-1,3-oxazol-5-one
CID 5058680
2-[2-(2,4-dichlorophenyl)ethenyl]-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 5185948
4-[(2-methoxyphenyl)methylidene]-2-(2-phenylethenyl)-1,3-oxazol-5-one
CID 4044485
2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 5017538
(4E)-2-[(E)-2-phenylethenyl]-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 6952353

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one (CID 5011359) is 2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one is O=C1OC(C=Cc2ccc(Cl)cc2)=NC1=Cc1cccc2ccccc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is JWGWPSOTNFUVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO2/c23-18-11-8-15(9-12-18)10-13-21-24-20(22(25)26-21)14-17-6-3-5-16-4-1-2-7-19(16)17/h1-14H.
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one?
2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 359.81 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 5011359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).