(4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one

C27H17Cl2NO3 — CID 6278747

IUPAC(4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C27H17Cl2NO3/c28-20-12-9-18(10-13-20)26-23(27(31)33-30-26)15-22-21-7-3-1-5-17(21)11-14-25(22)32-16-19-6-2-4-8-24(19)29/h1-15H,16H2/b23-15-
InChIKeyYUSWIAIJBQFLIY-HAHDFKILSA-N
MW474.34 g/mol
LogP7.07
Rot. Bonds5

About (4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one

(4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one (PubChem CID 6278747) has the molecular formula C27H17Cl2NO3 and a molecular weight of 474.34 g/mol. Its IUPAC name is (4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one
PubChem CID6278747
Molecular FormulaC27H17Cl2NO3
Molecular Weight474.34 g/mol
Exact Mass473.06
IUPAC Name(4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C27H17Cl2NO3/c28-20-12-9-18(10-13-20)26-23(27(31)33-30-26)15-22-21-7-3-1-5-17(21)11-14-25(22)32-16-19-6-2-4-8-24(19)29/h1-15H,16H2/b23-15-
InChIKeyYUSWIAIJBQFLIY-HAHDFKILSA-N
XLogP7.07
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.34
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3098302
4-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 4035773
(4Z)-4-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126087138
(4E)-4-benzylidene-3-(4-chlorophenyl)-1,2-oxazol-5-one
CID 678394
4-[(2,6-dichlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2726243
(4Z)-4-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126092910
3-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2-oxazol-5-one
CID 171131858
(5E)-5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 126071889
(5E)-5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 126235358
(4E)-4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 46499891
(5E)-3-(3-chlorophenyl)-5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126215836
(4Z)-4-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126083942

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one?
The IUPAC name of (4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one (CID 6278747) is (4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one is O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of (4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one?
The InChIKey is YUSWIAIJBQFLIY-HAHDFKILSA-N. The full InChI is InChI=1S/C27H17Cl2NO3/c28-20-12-9-18(10-13-20)26-23(27(31)33-30-26)15-22-21-7-3-1-5-17(21)11-14-25(22)32-16-19-6-2-4-8-24(19)29/h1-15H,16H2/b23-15-.
What are the key properties of (4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one?
(4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one has a molecular weight of 474.34 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-(4-chlorophenyl)-4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,2-oxazol-5-one is sourced from PubChem (CID 6278747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).