4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one

C16H7Cl3FNO2 — CID 3915691

IUPAC4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2cc(Cl)ccc2Cl)=NC1=Cc1c(F)cccc1Cl
InChIInChI=1S/C16H7Cl3FNO2/c17-8-4-5-12(19)10(6-8)15-21-14(16(22)23-15)7-9-11(18)2-1-3-13(9)20/h1-7H
InChIKeyWOGXTJQOBYQOIP-UHFFFAOYSA-N
MW370.59 g/mol
LogP5.13
Rot. Bonds2

About 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one

4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one (PubChem CID 3915691) has the molecular formula C16H7Cl3FNO2 and a molecular weight of 370.59 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one
PubChem CID3915691
Molecular FormulaC16H7Cl3FNO2
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC Name4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2cc(Cl)ccc2Cl)=NC1=Cc1c(F)cccc1Cl
InChIInChI=1S/C16H7Cl3FNO2/c17-8-4-5-12(19)10(6-8)15-21-14(16(22)23-15)7-9-11(18)2-1-3-13(9)20/h1-7H
InChIKeyWOGXTJQOBYQOIP-UHFFFAOYSA-N
XLogP5.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.59
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
CID 6997797
(4Z)-2-(5-bromo-2-methoxyphenyl)-4-[(2-chloro-6-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 6104224
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one
CID 6519451
4-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 5214242
(4E)-2-(2-chlorophenyl)-4-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 6525805
(4E)-2-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 2203832
4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 3538357
4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one
CID 1354625
4-[(3-chlorophenyl)methylidene]-2-(2,3-dichlorophenyl)-1,3-oxazol-5-one
CID 3938845
4-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one
CID 2875503
2-(2,5-dichlorophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4241697
2-(2,4-dichlorophenyl)-4-[(3-iodophenyl)methylidene]-1,3-oxazol-5-one
CID 4038727

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one (CID 3915691) is 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one is O=C1OC(c2cc(Cl)ccc2Cl)=NC1=Cc1c(F)cccc1Cl.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one?
The InChIKey is WOGXTJQOBYQOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl3FNO2/c17-8-4-5-12(19)10(6-8)15-21-14(16(22)23-15)7-9-11(18)2-1-3-13(9)20/h1-7H.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one?
4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one has a molecular weight of 370.59 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(2,5-dichlorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 3915691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).