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

C24H14ClNO2 — CID 3538357

IUPAC4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2Cl)=NC1=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H14ClNO2/c25-21-12-6-5-11-19(21)23-26-22(24(27)28-23)14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H
InChIKeyLFURSLNDTNGUHS-UHFFFAOYSA-N
MW383.83 g/mol
LogP5.99
Rot. Bonds2

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

4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one (PubChem CID 3538357) has the molecular formula C24H14ClNO2 and a molecular weight of 383.83 g/mol. Its IUPAC name is 4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one
PubChem CID3538357
Molecular FormulaC24H14ClNO2
Molecular Weight383.83 g/mol
Exact Mass383.07
IUPAC Name4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2Cl)=NC1=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H14ClNO2/c25-21-12-6-5-11-19(21)23-26-22(24(27)28-23)14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H
InChIKeyLFURSLNDTNGUHS-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

2-(2-chlorophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
CID 4527983
4-(anthracen-9-ylmethylidene)-2-(4-chlorophenyl)-1,3-oxazol-5-one
CID 2838749
2-(2-chlorophenyl)-4-[(4-iodophenyl)methylidene]-1,3-oxazol-5-one
CID 1270629
2-(2-chlorophenyl)-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one
CID 3876449
2-(2-chloro-5-iodophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
CID 3095622
(4E)-2-(2-chlorophenyl)-4-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 6525805
(4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 7038457
(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 19664025
(4E)-4-(anthracen-9-ylmethylidene)-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 20834647
(4Z)-2-(2-chlorophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
CID 819907
2-(2-chlorophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
CID 3844182
(4Z)-2-(2-chlorophenyl)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1,3-oxazol-5-one
CID 5293296

Frequently Asked Questions

What is the IUPAC name of 4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one?
The IUPAC name of 4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one (CID 3538357) is 4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for 4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one is O=C1OC(c2ccccc2Cl)=NC1=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one?
The InChIKey is LFURSLNDTNGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClNO2/c25-21-12-6-5-11-19(21)23-26-22(24(27)28-23)14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H.
What are the key properties of 4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one?
4-(anthracen-9-ylmethylidene)-2-(2-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-(2-chlorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 3538357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).