2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one

C25H18Cl2FNO4 — CID 5163057

IUPAC2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESCCOc1cc(C=C2N=C(c3ccc(Cl)c(Cl)c3)OC2=O)ccc1OCc1cccc(F)c1
InChIInChI=1S/C25H18Cl2FNO4/c1-2-31-23-12-15(6-9-22(23)32-14-16-4-3-5-18(28)10-16)11-21-25(30)33-24(29-21)17-7-8-19(26)20(27)13-17/h3-13H,2,14H2,1H3
InChIKeyKCBXLBDSTWMOLT-UHFFFAOYSA-N
MW486.33 g/mol
LogP6.45
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one

2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 5163057) has the molecular formula C25H18Cl2FNO4 and a molecular weight of 486.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID5163057
Molecular FormulaC25H18Cl2FNO4
Molecular Weight486.33 g/mol
Exact Mass485.06
IUPAC Name2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESCCOc1cc(C=C2N=C(c3ccc(Cl)c(Cl)c3)OC2=O)ccc1OCc1cccc(F)c1
InChIInChI=1S/C25H18Cl2FNO4/c1-2-31-23-12-15(6-9-22(23)32-14-16-4-3-5-18(28)10-16)11-21-25(30)33-24(29-21)17-7-8-19(26)20(27)13-17/h3-13H,2,14H2,1H3
InChIKeyKCBXLBDSTWMOLT-UHFFFAOYSA-N
XLogP6.45
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.33
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-2-(3,4-dichlorophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19672590
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19672749
(4Z)-2-(3,4-dichlorophenyl)-4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19672721
(4Z)-2-(3,4-dichlorophenyl)-4-[[4-[(3-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-1,3-oxazol-5-one
CID 19672726
(4Z)-4-[[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5-one
CID 19662439
(4Z)-4-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(3-iodo-4-methylphenyl)-1,3-oxazol-5-one
CID 5293745
4-[[3-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 2875104
(4Z)-2-(4-bromophenyl)-4-[[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 19662904
(4Z)-2-(3,4-dichlorophenyl)-4-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19672698
(4E)-4-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(4-ethoxyphenyl)-1,3-oxazol-5-one
CID 126015629
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 17379357
(4Z)-4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-iodo-3-methylphenyl)-1,3-oxazol-5-one
CID 19671726

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (CID 5163057) is 2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is CCOc1cc(C=C2N=C(c3ccc(Cl)c(Cl)c3)OC2=O)ccc1OCc1cccc(F)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is KCBXLBDSTWMOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2FNO4/c1-2-31-23-12-15(6-9-22(23)32-14-16-4-3-5-18(28)10-16)11-21-25(30)33-24(29-21)17-7-8-19(26)20(27)13-17/h3-13H,2,14H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 486.33 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 5163057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).