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

C32H34F3N5O3 — CID 155063876

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

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155063876) has the molecular formula C32H34F3N5O3 and a molecular weight of 593.65 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[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]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 155063876
• Molecular Formula: C32H34F3N5O3
• Molecular Weight: 593.65 g/mol
• Exact Mass: 593.26
• IUPAC Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• SMILES: O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2noc(C3CC(F)(F)C3)n2)c1)C12CC(F)(C1)C2
• InChI: InChI=1S/C32H34F3N5O3/c33-31-15-30(16-31,17-31)27(41)40(22-3-1-2-20(12-22)24-36-25(42-38-24)21-13-32(34,35)14-21)18-28-6-9-29(10-7-28,11-8-28)26-37-23(39-43-26)19-4-5-19/h1-3,12,19,21H,4-11,13-18H2
• InChIKey: JJGBVAXFFMJAAE-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 98.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.65
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[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]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (CID 155063876) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[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]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[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]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2noc(C3CC(F)(F)C3)n2)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]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is JJGBVAXFFMJAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O3/c33-31-15-30(16-31,17-31)27(41)40(22-3-1-2-20(12-22)24-36-25(42-38-24)21-13-32(34,35)14-21)18-28-6-9-29(10-7-28,11-8-28)26-37-23(39-43-26)19-4-5-19/h1-3,12,19,21H,4-11,13-18H2.

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

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 593.65 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 7 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]-N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155063876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).