N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide

C29H30F3N3O3 — CID 166977154

About N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 166977154) has the molecular formula C29H30F3N3O3 and a molecular weight of 525.57 g/mol. Its IUPAC name is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 166977154
• Molecular Formula: C29H30F3N3O3
• Molecular Weight: 525.57 g/mol
• Exact Mass: 525.22
• IUPAC Name: N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• SMILES: O=C(N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2ccc(OC(F)F)cc2)c1)C12CC(F)(C1)C2
• InChI: InChI=1S/C29H30F3N3O3/c30-27(31)37-23-12-10-19(11-13-23)21-5-4-6-22(15-21)35(26(36)28-16-29(32,17-28)18-28)14-3-1-2-7-24-33-25(34-38-24)20-8-9-20/h4-6,10-13,15,20,27H,1-3,7-9,14,16-18H2
• InChIKey: BGTOVMIYBTWRHY-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.57
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (CID 166977154) is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is O=C(N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2ccc(OC(F)F)cc2)c1)C12CC(F)(C1)C2.

What is the InChIKey of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is BGTOVMIYBTWRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O3/c30-27(31)37-23-12-10-19(11-13-23)21-5-4-6-22(15-21)35(26(36)28-16-29(32,17-28)18-28)14-3-1-2-7-24-33-25(34-38-24)20-8-9-20/h4-6,10-13,15,20,27H,1-3,7-9,14,16-18H2.

What are the key properties of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 525.57 g/mol, XLogP of 6.85, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 166977154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).