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

C24H14ClNO3 — CID 3106319

IUPAC4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc3ccccc23)=NC1=Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H14ClNO3/c25-17-10-8-16(9-11-17)22-13-12-18(28-22)14-21-24(27)29-23(26-21)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H
InChIKeyHMXXTTSQHIHDFS-UHFFFAOYSA-N
MW399.83 g/mol
LogP6.10
Rot. Bonds3

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

4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one (PubChem CID 3106319) has the molecular formula C24H14ClNO3 and a molecular weight of 399.83 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
PubChem CID3106319
Molecular FormulaC24H14ClNO3
Molecular Weight399.83 g/mol
Exact Mass399.07
IUPAC Name4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc3ccccc23)=NC1=Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H14ClNO3/c25-17-10-8-16(9-11-17)22-13-12-18(28-22)14-21-24(27)29-23(26-21)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H
InChIKeyHMXXTTSQHIHDFS-UHFFFAOYSA-N
XLogP6.10
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.83
LogP ≤ 56.10
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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Related Compounds

(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19672568
(4Z)-2-(2-chlorophenyl)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19664302
(4E)-2-(2-chlorophenyl)-4-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 6525805
4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
CID 3926020
(4Z)-2-(2-chloro-4-nitrophenyl)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19674024
(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663628
ethyl 4-[5-[[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]furan-2-yl]benzoate
CID 2934836
4-[[5-(4-methylphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 876248
4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one
CID 2838749
2-(4-chlorophenyl)-5-(4-naphthalen-1-ylphenyl)furan
CID 143850881
(4Z)-4-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 19670849
(4Z)-2-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 805721

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one?
The IUPAC name of 4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one (CID 3106319) is 4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one?
The canonical SMILES for 4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one is O=C1OC(c2cccc3ccccc23)=NC1=Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one?
The InChIKey is HMXXTTSQHIHDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClNO3/c25-17-10-8-16(9-11-17)22-13-12-18(28-22)14-21-24(27)29-23(26-21)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H.
What are the key properties of 4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one?
4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one has a molecular weight of 399.83 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one is sourced from PubChem (CID 3106319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).