N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide

C33H33F4N3O2 — CID 155060758

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155060758) has the molecular formula C33H33F4N3O2 and a molecular weight of 579.64 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 155060758
• Molecular Formula: C33H33F4N3O2
• Molecular Weight: 579.64 g/mol
• Exact Mass: 579.25
• IUPAC Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)C12CC(F)(C1)C2
• InChI: InChI=1S/C33H33F4N3O2/c34-32-17-31(18-32,19-32)28(41)40(25-3-1-2-23(16-25)21-6-8-24(9-7-21)33(35,36)37)20-29-10-13-30(14-11-29,15-12-29)27-38-26(39-42-27)22-4-5-22/h1-3,6-9,16,22H,4-5,10-15,17-20H2
• InChIKey: GAYUHUMKFSFXOE-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.64
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 155060758) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide is O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)C12CC(F)(C1)C2.

What is the InChIKey of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is GAYUHUMKFSFXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F4N3O2/c34-32-17-31(18-32,19-32)28(41)40(25-3-1-2-23(16-25)21-6-8-24(9-7-21)33(35,36)37)20-29-10-13-30(14-11-29,15-12-29)27-38-26(39-42-27)22-4-5-22/h1-3,6-9,16,22H,4-5,10-15,17-20H2.

What are the key properties of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide?

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 579.64 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(trifluoromethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155060758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).