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

C32H38FN5O3 — CID 155063685

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

N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155063685) has the molecular formula C32H38FN5O3 and a molecular weight of 559.69 g/mol. Its IUPAC name is N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 155063685
• Molecular Formula: C32H38FN5O3
• Molecular Weight: 559.69 g/mol
• Exact Mass: 559.30
• IUPAC Name: N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CC(C)(C)c1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)no1
• InChI: InChI=1S/C32H38FN5O3/c1-28(2,3)25-34-24(37-40-25)21-5-4-6-22(15-21)38(27(39)31-16-32(33,17-31)18-31)19-29-9-12-30(13-10-29,14-11-29)26-35-23(36-41-26)20-7-8-20/h4-6,15,20H,7-14,16-19H2,1-3H3
• InChIKey: OHMMINCANOAHIA-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 98.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.69
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (CID 155063685) is N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is CC(C)(C)c1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)no1.

What is the InChIKey of N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is OHMMINCANOAHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN5O3/c1-28(2,3)25-34-24(37-40-25)21-5-4-6-22(15-21)38(27(39)31-16-32(33,17-31)18-31)19-29-9-12-30(13-10-29,14-11-29)26-35-23(36-41-26)20-7-8-20/h4-6,15,20H,7-14,16-19H2,1-3H3.

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

N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 559.69 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155063685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).