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

C28H32FN5O3 — CID 162366874

About N-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide

N-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 162366874) has the molecular formula C28H32FN5O3 and a molecular weight of 505.59 g/mol. Its IUPAC name is N-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 162366874
• Molecular Formula: C28H32FN5O3
• Molecular Weight: 505.59 g/mol
• Exact Mass: 505.25
• IUPAC Name: N-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CCc1noc(-c2cccc(C(NC(=O)C34CC(C3)C4)C34CCC(c5nc(C)no5)(CC3)CC4F)c2)n1
• InChI: InChI=1S/C28H32FN5O3/c1-3-21-31-23(36-34-21)19-6-4-5-18(11-19)22(32-24(35)27-12-17(13-27)14-27)28-9-7-26(8-10-28,15-20(28)29)25-30-16(2)33-37-25/h4-6,11,17,20,22H,3,7-10,12-15H2,1-2H3,(H,32,35)
• InChIKey: REGLKGJHWJGOSU-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 106.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.59
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 162366874) is N-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide.

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

The canonical SMILES for N-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide is CCc1noc(-c2cccc(C(NC(=O)C34CC(C3)C4)C34CCC(c5nc(C)no5)(CC3)CC4F)c2)n1.

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

The InChIKey is REGLKGJHWJGOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O3/c1-3-21-31-23(36-34-21)19-6-4-5-18(11-19)22(32-24(35)27-12-17(13-27)14-27)28-9-7-26(8-10-28,15-20(28)29)25-30-16(2)33-37-25/h4-6,11,17,20,22H,3,7-10,12-15H2,1-2H3,(H,32,35).

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

N-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 505.59 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 162366874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).