2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline

C31H24F3N3O2 — CID 155344759

About 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline

2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline (PubChem CID 155344759) has the molecular formula C31H24F3N3O2 and a molecular weight of 527.55 g/mol. Its IUPAC name is 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline
• PubChem CID: 155344759
• Molecular Formula: C31H24F3N3O2
• Molecular Weight: 527.55 g/mol
• Exact Mass: 527.18
• IUPAC Name: 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline
• SMILES: FC(F)(F)c1ccc(Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)c(C2=N[C@H](c3ccccc3)CO2)c1
• InChI: InChI=1S/C31H24F3N3O2/c32-31(33,34)22-15-16-26(24(17-22)30-37-28(19-39-30)21-11-5-2-6-12-21)35-25-14-8-7-13-23(25)29-36-27(18-38-29)20-9-3-1-4-10-20/h1-17,27-28,35H,18-19H2/t27-,28-/m0/s1
• InChIKey: CSFZHENILLIBJB-NSOVKSMOSA-N
• XLogP: 7.49
• TPSA: 55.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.55
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline?

The IUPAC name of 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline (CID 155344759) is 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline.

What is the SMILES notation for 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline?

The canonical SMILES for 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Nc2ccccc2C2=N[C@H](c3ccccc3)CO2)c(C2=N[C@H](c3ccccc3)CO2)c1.

What is the InChIKey of 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline?

The InChIKey is CSFZHENILLIBJB-NSOVKSMOSA-N. The full InChI is InChI=1S/C31H24F3N3O2/c32-31(33,34)22-15-16-26(24(17-22)30-37-28(19-39-30)21-11-5-2-6-12-21)35-25-14-8-7-13-23(25)29-36-27(18-38-29)20-9-3-1-4-10-20/h1-17,27-28,35H,18-19H2/t27-,28-/m0/s1.

What are the key properties of 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline?

2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline has a molecular weight of 527.55 g/mol, XLogP of 7.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 155344759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).