4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one

C17H11Cl2NO2 — CID 671123

IUPAC4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one
SMILESCc1ccccc1C1=NOC(=O)C1=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO2/c1-10-4-2-3-5-13(10)16-14(17(21)22-20-16)8-11-6-7-12(18)9-15(11)19/h2-9H,1H3
InChIKeyRFUDBZFTXCJQQT-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.65
Rot. Bonds2

About 4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one

4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one (PubChem CID 671123) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one
PubChem CID671123
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one
SMILESCc1ccccc1C1=NOC(=O)C1=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO2/c1-10-4-2-3-5-13(10)16-14(17(21)22-20-16)8-11-6-7-12(18)9-15(11)19/h2-9H,1H3
InChIKeyRFUDBZFTXCJQQT-UHFFFAOYSA-N
XLogP4.65
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2,4-dichlorophenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one
CID 4270109
4-[(2,4-dichlorophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 746827
4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 171131683
(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6292481
(4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2301381
(4E)-4-[(2,4-dichlorophenyl)methylidene]-3-methyl-1H-pyrazol-5-one
CID 6049349
3-(4-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 3736691
(4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one
CID 135472384
4-[(2,5-dimethylphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 3344955
3-(5-chloro-2-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 4998780
(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 10641700
(4Z)-4-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126092910

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one?
The IUPAC name of 4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one (CID 671123) is 4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one is Cc1ccccc1C1=NOC(=O)C1=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one?
The InChIKey is RFUDBZFTXCJQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c1-10-4-2-3-5-13(10)16-14(17(21)22-20-16)8-11-6-7-12(18)9-15(11)19/h2-9H,1H3.
What are the key properties of 4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one?
4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one has a molecular weight of 332.19 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-1,2-oxazol-5-one is sourced from PubChem (CID 671123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).