[4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol

C31H22F7N3O3 — CID 122599692

About [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol

[4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol (PubChem CID 122599692) has the molecular formula C31H22F7N3O3 and a molecular weight of 617.52 g/mol. Its IUPAC name is [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol.

Molecular Properties

• Compound Name: [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol
• PubChem CID: 122599692
• Molecular Formula: C31H22F7N3O3
• Molecular Weight: 617.52 g/mol
• Exact Mass: 617.15
• IUPAC Name: [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol
• SMILES: Cc1cc(-c2ccc(-n3ccc(C(F)(F)F)n3)c(-c3nc(C4CC4)oc3-c3ccc(OC(F)(F)F)cc3)c2)cc(F)c1CO
• InChI: InChI=1S/C31H22F7N3O3/c1-16-12-20(14-24(32)23(16)15-42)19-6-9-25(41-11-10-26(40-41)30(33,34)35)22(13-19)27-28(43-29(39-27)18-2-3-18)17-4-7-21(8-5-17)44-31(36,37)38/h4-14,18,42H,2-3,15H2,1H3
• InChIKey: MGYAMCVCFJQAJZ-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 73.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.52
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol?

The IUPAC name of [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol (CID 122599692) is [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol.

What is the SMILES notation for [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol?

The canonical SMILES for [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol is Cc1cc(-c2ccc(-n3ccc(C(F)(F)F)n3)c(-c3nc(C4CC4)oc3-c3ccc(OC(F)(F)F)cc3)c2)cc(F)c1CO.

What is the InChIKey of [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol?

The InChIKey is MGYAMCVCFJQAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22F7N3O3/c1-16-12-20(14-24(32)23(16)15-42)19-6-9-25(41-11-10-26(40-41)30(33,34)35)22(13-19)27-28(43-29(39-27)18-2-3-18)17-4-7-21(8-5-17)44-31(36,37)38/h4-14,18,42H,2-3,15H2,1H3.

What are the key properties of [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol?

[4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol has a molecular weight of 617.52 g/mol, XLogP of 8.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[2-cyclopropyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylphenyl]methanol is sourced from PubChem (CID 122599692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).