N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide

C24H31N5O3 — CID 167077883

About N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide

N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide (PubChem CID 167077883) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide
• PubChem CID: 167077883
• Molecular Formula: C24H31N5O3
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.24
• IUPAC Name: N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide
• SMILES: Cc1noc(CCCCCN(C(=O)C2CCCCC2)c2cccc(-c3nc(C)no3)c2)n1
• InChI: InChI=1S/C24H31N5O3/c1-17-25-22(31-27-17)14-7-4-8-15-29(24(30)19-10-5-3-6-11-19)21-13-9-12-20(16-21)23-26-18(2)28-32-23/h9,12-13,16,19H,3-8,10-11,14-15H2,1-2H3
• InChIKey: OMQOKLZJBVLYCO-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 98.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide (CID 167077883) is N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide.

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

The canonical SMILES for N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide is Cc1noc(CCCCCN(C(=O)C2CCCCC2)c2cccc(-c3nc(C)no3)c2)n1.

What is the InChIKey of N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide?

The InChIKey is OMQOKLZJBVLYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-17-25-22(31-27-17)14-7-4-8-15-29(24(30)19-10-5-3-6-11-19)21-13-9-12-20(16-21)23-26-18(2)28-32-23/h9,12-13,16,19H,3-8,10-11,14-15H2,1-2H3.

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

N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 437.54 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 167077883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).