N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide

C33H42N4O3 — CID 154683743

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide (PubChem CID 154683743) has the molecular formula C33H42N4O3 and a molecular weight of 542.72 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-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide
• PubChem CID: 154683743
• Molecular Formula: C33H42N4O3
• Molecular Weight: 542.72 g/mol
• Exact Mass: 542.33
• IUPAC Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide
• SMILES: CCCc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCCCC3)c2)o1
• InChI: InChI=1S/C33H42N4O3/c1-2-7-28-34-21-27(39-28)25-10-6-11-26(20-25)37(30(38)24-8-4-3-5-9-24)22-32-14-17-33(18-15-32,19-16-32)31-35-29(36-40-31)23-12-13-23/h6,10-11,20-21,23-24H,2-5,7-9,12-19,22H2,1H3
• InChIKey: NSSXKVVZRNIEEY-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 85.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.72
LogP ≤ 5	7.76
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]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide?

The IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide (CID 154683743) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide.

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-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide?

The canonical SMILES for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide is CCCc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CCCCC3)c2)o1.

What is the InChIKey of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide?

The InChIKey is NSSXKVVZRNIEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N4O3/c1-2-7-28-34-21-27(39-28)25-10-6-11-26(20-25)37(30(38)24-8-4-3-5-9-24)22-32-14-17-33(18-15-32,19-16-32)31-35-29(36-40-31)23-12-13-23/h6,10-11,20-21,23-24H,2-5,7-9,12-19,22H2,1H3.

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-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide?

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 542.72 g/mol, XLogP of 7.76, 9 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]-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 154683743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).