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

C33H40FN5O3 — CID 158015224

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

N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 158015224) has the molecular formula C33H40FN5O3 and a molecular weight of 573.71 g/mol. Its IUPAC name is N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 158015224
• Molecular Formula: C33H40FN5O3
• Molecular Weight: 573.71 g/mol
• Exact Mass: 573.31
• IUPAC Name: N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5noc(C6(C)CC6)n5)c4)(CC2)CC3)n1
• InChI: InChI=1S/C33H40FN5O3/c1-28(2,3)24-36-26(42-38-24)31-13-10-30(11-14-31,12-15-31)20-39(27(40)32-17-33(34,18-32)19-32)22-7-5-6-21(16-22)23-35-25(41-37-23)29(4)8-9-29/h5-7,16H,8-15,17-20H2,1-4H3
• InChIKey: FFJMPVMNNOZTHS-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 98.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.71
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 158015224) is N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide.

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

The canonical SMILES for N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide is CC(C)(C)c1noc(C23CCC(CN(C(=O)C45CC(F)(C4)C5)c4cccc(-c5noc(C6(C)CC6)n5)c4)(CC2)CC3)n1.

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

The InChIKey is FFJMPVMNNOZTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40FN5O3/c1-28(2,3)24-36-26(42-38-24)31-13-10-30(11-14-31,12-15-31)20-39(27(40)32-17-33(34,18-32)19-32)22-7-5-6-21(16-22)23-35-25(41-37-23)29(4)8-9-29/h5-7,16H,8-15,17-20H2,1-4H3.

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

N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 573.71 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 158015224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).