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

C28H31FN4O3 — CID 166976712

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

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 166976712) has the molecular formula C28H31FN4O3 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,2-oxazol-3-yl)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-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 166976712
• Molecular Formula: C28H31FN4O3
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.24
• IUPAC Name: N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• SMILES: O=C(N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2cc(C3CC3)on2)c1)C12CC(F)(C1)C2
• InChI: InChI=1S/C28H31FN4O3/c29-28-15-27(16-28,17-28)26(34)33(12-3-1-2-7-24-30-25(32-36-24)19-10-11-19)21-6-4-5-20(13-21)22-14-23(35-31-22)18-8-9-18/h4-6,13-14,18-19H,1-3,7-12,15-17H2
• InChIKey: DKVGKMLDCFEJOG-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 85.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.58
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(5-cyclopropyl-1,2-oxazol-3-yl)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-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (CID 166976712) is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,2-oxazol-3-yl)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-(5-cyclopropyl-1,2-oxazol-3-yl)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-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is O=C(N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2cc(C3CC3)on2)c1)C12CC(F)(C1)C2.

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

The InChIKey is DKVGKMLDCFEJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O3/c29-28-15-27(16-28,17-28)26(34)33(12-3-1-2-7-24-30-25(32-36-24)19-10-11-19)21-6-4-5-20(13-21)22-14-23(35-31-22)18-8-9-18/h4-6,13-14,18-19H,1-3,7-12,15-17H2.

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

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 6.12, 11 rotatable bonds, 0 hydrogen bond donors, and 6 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-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 166976712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).