4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one

C24H14ClNO2 — CID 2838749

IUPAC4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Cl)cc2)=NC1=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H14ClNO2/c25-18-11-9-15(10-12-18)23-26-22(24(27)28-23)14-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-14H
InChIKeyIDIAEJSCRSLAQD-UHFFFAOYSA-N
MW383.83 g/mol
LogP5.99
Rot. Bonds2

About 4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one

4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one (PubChem CID 2838749) has the molecular formula C24H14ClNO2 and a molecular weight of 383.83 g/mol. Its IUPAC name is 4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one
PubChem CID2838749
Molecular FormulaC24H14ClNO2
Molecular Weight383.83 g/mol
Exact Mass383.07
IUPAC Name4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Cl)cc2)=NC1=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H14ClNO2/c25-18-11-9-15(10-12-18)23-26-22(24(27)28-23)14-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-14H
InChIKeyIDIAEJSCRSLAQD-UHFFFAOYSA-N
XLogP5.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.83
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 3538357
(4E)-4-(anthracen-9-ylmethylidene)-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 20834647
2-(4-chlorophenyl)-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one
CID 4203641
(4Z)-2-(4-chlorophenyl)-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one
CID 6523640
4-[(2,4-dichlorophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 4528052
(4E)-2-(4-chlorophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 695890
4-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3098302
(4Z)-2-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 805721
4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 3106319
(4E)-2-(4-chlorophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1329768
(4Z)-2-naphthalen-2-yl-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 19674503
2-(4-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 3109273

Frequently Asked Questions

What is the IUPAC name of 4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one?
The IUPAC name of 4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one (CID 2838749) is 4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for 4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one is O=C1OC(c2ccc(Cl)cc2)=NC1=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one?
The InChIKey is IDIAEJSCRSLAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClNO2/c25-18-11-9-15(10-12-18)23-26-22(24(27)28-23)14-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-14H.
What are the key properties of 4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one?
4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one has a molecular weight of 383.83 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 2838749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).