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

C31H38N4O3 — CID 154683528

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

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexanecarboxamide (PubChem CID 154683528) has the molecular formula C31H38N4O3 and a molecular weight of 514.67 g/mol. Its IUPAC name is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexanecarboxamide
• PubChem CID: 154683528
• Molecular Formula: C31H38N4O3
• Molecular Weight: 514.67 g/mol
• Exact Mass: 514.29
• IUPAC Name: N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexanecarboxamide
• SMILES: Cc1cnc(C23CCC(CN(C(=O)C4CCCCC4)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)o1
• InChI: InChI=1S/C31H38N4O3/c1-21-19-32-29(37-21)31-15-12-30(13-16-31,14-17-31)20-35(28(36)23-6-3-2-4-7-23)25-9-5-8-24(18-25)27-33-26(34-38-27)22-10-11-22/h5,8-9,18-19,22-23H,2-4,6-7,10-17,20H2,1H3
• InChIKey: QTERZLVURZPGRS-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 85.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.67
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexanecarboxamide (CID 154683528) is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexanecarboxamide.

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

The canonical SMILES for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexanecarboxamide is Cc1cnc(C23CCC(CN(C(=O)C4CCCCC4)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)o1.

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

The InChIKey is QTERZLVURZPGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O3/c1-21-19-32-29(37-21)31-15-12-30(13-16-31,14-17-31)20-35(28(36)23-6-3-2-4-7-23)25-9-5-8-24(18-25)27-33-26(34-38-27)22-10-11-22/h5,8-9,18-19,22-23H,2-4,6-7,10-17,20H2,1H3.

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

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexanecarboxamide has a molecular weight of 514.67 g/mol, XLogP of 7.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 154683528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).