N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-1-carboxamide

C30H32F4N4O3 — CID 155060509

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-1-carboxamide

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 155060509) has the molecular formula C30H32F4N4O3 and a molecular weight of 572.60 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-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-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-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-1-carboxamide
• PubChem CID: 155060509
• Molecular Formula: C30H32F4N4O3
• Molecular Weight: 572.60 g/mol
• Exact Mass: 572.24
• IUPAC Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-1-carboxamide
• SMILES: O=C(C1CCC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C(F)F)co2)c1
• InChI: InChI=1S/C30H32F4N4O3/c31-23(32)22-16-40-25(35-22)19-2-1-3-21(14-19)38(26(39)20-6-7-30(33,34)15-20)17-28-8-11-29(12-9-28,13-10-28)27-36-24(37-41-27)18-4-5-18/h1-3,14,16,18,20,23H,4-13,15,17H2
• InChIKey: HGBNQVAQYHAPSU-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 85.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.60
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-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-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-1-carboxamide (CID 155060509) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-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-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-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-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-1-carboxamide is O=C(C1CCC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2nc(C(F)F)co2)c1.

What is the InChIKey of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-1-carboxamide?

The InChIKey is HGBNQVAQYHAPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F4N4O3/c31-23(32)22-16-40-25(35-22)19-2-1-3-21(14-19)38(26(39)20-6-7-30(33,34)15-20)17-28-8-11-29(12-9-28,13-10-28)27-36-24(37-41-27)18-4-5-18/h1-3,14,16,18,20,23H,4-13,15,17H2.

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-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-1-carboxamide?

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 572.60 g/mol, XLogP of 7.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 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-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 155060509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).