2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole

C23H16ClF4NO2 — CID 123864669

IUPAC2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C1COC(c2c(F)cccc2Cl)=N1
InChIInChI=1S/C23H16ClF4NO2/c1-13-11-15(14-5-8-16(9-6-14)31-23(26,27)28)7-10-17(13)20-12-30-22(29-20)21-18(24)3-2-4-19(21)25/h2-11,20H,12H2,1H3
InChIKeyNRDINZSNESSDMZ-UHFFFAOYSA-N
MW449.83 g/mol
LogP6.87
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole

2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 123864669) has the molecular formula C23H16ClF4NO2 and a molecular weight of 449.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID123864669
Molecular FormulaC23H16ClF4NO2
Molecular Weight449.83 g/mol
Exact Mass449.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C1COC(c2c(F)cccc2Cl)=N1
InChIInChI=1S/C23H16ClF4NO2/c1-13-11-15(14-5-8-16(9-6-14)31-23(26,27)28)7-10-17(13)20-12-30-22(29-20)21-18(24)3-2-4-19(21)25/h2-11,20H,12H2,1H3
InChIKeyNRDINZSNESSDMZ-UHFFFAOYSA-N
XLogP6.87
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.83
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-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 2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 123864669) is 2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C1COC(c2c(F)cccc2Cl)=N1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is NRDINZSNESSDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF4NO2/c1-13-11-15(14-5-8-16(9-6-14)31-23(26,27)28)7-10-17(13)20-12-30-22(29-20)21-18(24)3-2-4-19(21)25/h2-11,20H,12H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 449.83 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 123864669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).