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

C34H38FN3O2 — CID 155064026

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(4-ethylphenyl)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-(4-ethylphenyl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155064026) has the molecular formula C34H38FN3O2 and a molecular weight of 539.70 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-ethylphenyl)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-(4-ethylphenyl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 155064026
• Molecular Formula: C34H38FN3O2
• Molecular Weight: 539.70 g/mol
• Exact Mass: 539.29
• IUPAC Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(4-ethylphenyl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CCc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1
• InChI: InChI=1S/C34H38FN3O2/c1-2-23-6-8-24(9-7-23)26-4-3-5-27(18-26)38(30(39)33-19-34(35,20-33)21-33)22-31-12-15-32(16-13-31,17-14-31)29-36-28(37-40-29)25-10-11-25/h3-9,18,25H,2,10-17,19-22H2,1H3
• InChIKey: FCKIAEILZHMTGU-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.70
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-ethylphenyl)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-(4-ethylphenyl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (CID 155064026) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(4-ethylphenyl)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-(4-ethylphenyl)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-(4-ethylphenyl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is CCc1ccc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)cc1.

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-ethylphenyl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is FCKIAEILZHMTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN3O2/c1-2-23-6-8-24(9-7-23)26-4-3-5-27(18-26)38(30(39)33-19-34(35,20-33)21-33)22-31-12-15-32(16-13-31,17-14-31)29-36-28(37-40-29)25-10-11-25/h3-9,18,25H,2,10-17,19-22H2,1H3.

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-(4-ethylphenyl)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-(4-ethylphenyl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 539.70 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 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-ethylphenyl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155064026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).