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

C30H32F3N5O3 — CID 157189446

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 157189446) has the molecular formula C30H32F3N5O3 and a molecular weight of 567.61 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-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 157189446
• Molecular Formula: C30H32F3N5O3
• Molecular Weight: 567.61 g/mol
• Exact Mass: 567.25
• IUPAC Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CC(F)(F)c1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)no1
• InChI: InChI=1S/C30H32F3N5O3/c1-26(31,32)23-34-22(37-40-23)19-3-2-4-20(13-19)38(25(39)29-14-30(33,15-29)16-29)17-27-7-10-28(11-8-27,12-9-27)24-35-21(36-41-24)18-5-6-18/h2-4,13,18H,5-12,14-17H2,1H3
• InChIKey: APNDGAARYOTYSI-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 98.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.61
LogP ≤ 5	6.63
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-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (CID 157189446) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is CC(F)(F)c1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)no1.

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-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is APNDGAARYOTYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N5O3/c1-26(31,32)23-34-22(37-40-23)19-3-2-4-20(13-19)38(25(39)29-14-30(33,15-29)16-29)17-27-7-10-28(11-8-27,12-9-27)24-35-21(36-41-24)18-5-6-18/h2-4,13,18H,5-12,14-17H2,1H3.

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-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 567.61 g/mol, XLogP of 6.63, 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-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 157189446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).