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

C30H37FN4O3 — CID 155060908

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

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-(3-morpholin-4-ylphenyl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155060908) has the molecular formula C30H37FN4O3 and a molecular weight of 520.65 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-(3-morpholin-4-ylphenyl)bicyclo[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]-3-fluoro-N-(3-morpholin-4-ylphenyl)bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 155060908
• Molecular Formula: C30H37FN4O3
• Molecular Weight: 520.65 g/mol
• Exact Mass: 520.28
• IUPAC Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-(3-morpholin-4-ylphenyl)bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(N2CCOCC2)c1)C12CC(F)(C1)C2
• InChI: InChI=1S/C30H37FN4O3/c31-30-17-29(18-30,19-30)26(36)35(23-3-1-2-22(16-23)34-12-14-37-15-13-34)20-27-6-9-28(10-7-27,11-8-27)25-32-24(33-38-25)21-4-5-21/h1-3,16,21H,4-15,17-20H2
• InChIKey: NLODWEMCURYMLU-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 71.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.65
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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]-3-fluoro-N-(3-morpholin-4-ylphenyl)bicyclo[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]-3-fluoro-N-(3-morpholin-4-ylphenyl)bicyclo[1.1.1]pentane-1-carboxamide (CID 155060908) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-(3-morpholin-4-ylphenyl)bicyclo[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]-3-fluoro-N-(3-morpholin-4-ylphenyl)bicyclo[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]-3-fluoro-N-(3-morpholin-4-ylphenyl)bicyclo[1.1.1]pentane-1-carboxamide is O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(N2CCOCC2)c1)C12CC(F)(C1)C2.

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

The InChIKey is NLODWEMCURYMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O3/c31-30-17-29(18-30,19-30)26(36)35(23-3-1-2-22(16-23)34-12-14-37-15-13-34)20-27-6-9-28(10-7-27,11-8-27)25-32-24(33-38-25)21-4-5-21/h1-3,16,21H,4-15,17-20H2.

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

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-(3-morpholin-4-ylphenyl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 520.65 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 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]-3-fluoro-N-(3-morpholin-4-ylphenyl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155060908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).