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

C32H35FN4O2 — CID 155060740

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

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluoro-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155060740) has the molecular formula C32H35FN4O2 and a molecular weight of 526.66 g/mol. Its IUPAC name is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluoro-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluoro-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 155060740
• Molecular Formula: C32H35FN4O2
• Molecular Weight: 526.66 g/mol
• Exact Mass: 526.27
• IUPAC Name: N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluoro-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: Cc1cc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)ccn1
• InChI: InChI=1S/C32H35FN4O2/c1-21-15-24(7-14-34-21)30-11-8-29(9-12-30,10-13-30)20-37(28(38)31-17-32(33,18-31)19-31)25-4-2-3-23(16-25)27-35-26(36-39-27)22-5-6-22/h2-4,7,14-16,22H,5-6,8-13,17-20H2,1H3
• InChIKey: IRHUJAOAQHSXGE-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.66
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluoro-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 155060740) is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluoro-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide.

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

The canonical SMILES for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluoro-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide is Cc1cc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)ccn1.

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

The InChIKey is IRHUJAOAQHSXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O2/c1-21-15-24(7-14-34-21)30-11-8-29(9-12-30,10-13-30)20-37(28(38)31-17-32(33,18-31)19-31)25-4-2-3-23(16-25)27-35-26(36-39-27)22-5-6-22/h2-4,7,14-16,22H,5-6,8-13,17-20H2,1H3.

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

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluoro-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 526.66 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluoro-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155060740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).