(4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole

C24H18F5NO — CID 59069443

IUPAC(4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[C@@H]1N=C(c2c(F)cccc2F)O[C@H]1C
InChIInChI=1S/C24H18F5NO/c1-13-12-16(15-6-9-17(10-7-15)24(27,28)29)8-11-18(13)22-14(2)31-23(30-22)21-19(25)4-3-5-20(21)26/h3-12,14,22H,1-2H3/t14-,22+/m0/s1
InChIKeyKSOXCEAAVMTEPV-RCDICMHDSA-N
MW431.40 g/mol
LogP6.87
Rot. Bonds3

About (4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole

(4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 59069443) has the molecular formula C24H18F5NO and a molecular weight of 431.40 g/mol. Its IUPAC name is (4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID59069443
Molecular FormulaC24H18F5NO
Molecular Weight431.40 g/mol
Exact Mass431.13
IUPAC Name(4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[C@@H]1N=C(c2c(F)cccc2F)O[C@H]1C
InChIInChI=1S/C24H18F5NO/c1-13-12-16(15-6-9-17(10-7-15)24(27,28)29)8-11-18(13)22-14(2)31-23(30-22)21-19(25)4-3-5-20(21)26/h3-12,14,22H,1-2H3/t14-,22+/m0/s1
InChIKeyKSOXCEAAVMTEPV-RCDICMHDSA-N
XLogP6.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.40
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)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

Related Compounds

4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 14853251
4-(2,4-Difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853270
2-(2,6-Difluorophenyl)-4-(4-dodecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007777
2-(2,6-Difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007780
2-(2,6-Difluorophenyl)-4-(2-fluoro-4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008028

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 59069443) is (4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[C@@H]1N=C(c2c(F)cccc2F)O[C@H]1C.
What is the InChIKey of (4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is KSOXCEAAVMTEPV-RCDICMHDSA-N. The full InChI is InChI=1S/C24H18F5NO/c1-13-12-16(15-6-9-17(10-7-15)24(27,28)29)8-11-18(13)22-14(2)31-23(30-22)21-19(25)4-3-5-20(21)26/h3-12,14,22H,1-2H3/t14-,22+/m0/s1.
What are the key properties of (4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
(4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 431.40 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-(2,6-difluorophenyl)-5-methyl-4-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 59069443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).