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

C24H20F3NO — CID 59069425

IUPAC(4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1C1=N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)[C@H](C)O1
InChIInChI=1S/C24H20F3NO/c1-15-5-3-4-6-21(15)23-28-22(16(2)29-23)19-9-7-17(8-10-19)18-11-13-20(14-12-18)24(25,26)27/h3-14,16,22H,1-2H3/t16-,22-/m0/s1
InChIKeyWACGBYNTPQHLJA-AOMKIAJQSA-N
MW395.42 g/mol
LogP6.59
Rot. Bonds3

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

(4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 59069425) has the molecular formula C24H20F3NO and a molecular weight of 395.42 g/mol. Its IUPAC name is (4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID59069425
Molecular FormulaC24H20F3NO
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name(4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccccc1C1=N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)[C@H](C)O1
InChIInChI=1S/C24H20F3NO/c1-15-5-3-4-6-21(15)23-28-22(16(2)29-23)19-9-7-17(8-10-19)18-11-13-20(14-12-18)24(25,26)27/h3-14,16,22H,1-2H3/t16-,22-/m0/s1
InChIKeyWACGBYNTPQHLJA-AOMKIAJQSA-N
XLogP6.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 59069425) is (4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is Cc1ccccc1C1=N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)[C@H](C)O1.
What is the InChIKey of (4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is WACGBYNTPQHLJA-AOMKIAJQSA-N. The full InChI is InChI=1S/C24H20F3NO/c1-15-5-3-4-6-21(15)23-28-22(16(2)29-23)19-9-7-17(8-10-19)18-11-13-20(14-12-18)24(25,26)27/h3-14,16,22H,1-2H3/t16-,22-/m0/s1.
What are the key properties of (4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
(4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 395.42 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-methyl-2-(2-methylphenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 59069425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).