4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C15H9ClF3NO — CID 14853267

IUPAC4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2COC(c3c(F)cccc3F)=N2)c(Cl)c1
InChIInChI=1S/C15H9ClF3NO/c16-10-6-8(17)4-5-9(10)13-7-21-15(20-13)14-11(18)2-1-3-12(14)19/h1-6,13H,7H2
InChIKeyONYVARHAZIRLRC-UHFFFAOYSA-N
MW311.69 g/mol
LogP4.28
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14853267) has the molecular formula C15H9ClF3NO and a molecular weight of 311.69 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID14853267
Molecular FormulaC15H9ClF3NO
Molecular Weight311.69 g/mol
Exact Mass311.03
IUPAC Name4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2COC(c3c(F)cccc3F)=N2)c(Cl)c1
InChIInChI=1S/C15H9ClF3NO/c16-10-6-8(17)4-5-9(10)13-7-21-15(20-13)14-11(18)2-1-3-12(14)19/h1-6,13H,7H2
InChIKeyONYVARHAZIRLRC-UHFFFAOYSA-N
XLogP4.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 14853267) is 4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1ccc(C2COC(c3c(F)cccc3F)=N2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ONYVARHAZIRLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO/c16-10-6-8(17)4-5-9(10)13-7-21-15(20-13)14-11(18)2-1-3-12(14)19/h1-6,13H,7H2.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 311.69 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).