N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide

C27H33N5O4 — CID 167077753

About N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide (PubChem CID 167077753) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide
• PubChem CID: 167077753
• Molecular Formula: C27H33N5O4
• Molecular Weight: 491.59 g/mol
• Exact Mass: 491.25
• IUPAC Name: N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide
• SMILES: O=C(C1CCOCC1)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2nnc(C3CC3)o2)c1
• InChI: InChI=1S/C27H33N5O4/c33-27(20-12-15-34-16-13-20)32(14-3-1-2-7-23-28-24(31-36-23)18-8-9-18)22-6-4-5-21(17-22)26-30-29-25(35-26)19-10-11-19/h4-6,17-20H,1-3,7-16H2
• InChIKey: CANSZNFYAVWIGY-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 107.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.59
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide?

The IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide (CID 167077753) is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide.

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

The canonical SMILES for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide is O=C(C1CCOCC1)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2nnc(C3CC3)o2)c1.

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

The InChIKey is CANSZNFYAVWIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c33-27(20-12-15-34-16-13-20)32(14-3-1-2-7-23-28-24(31-36-23)18-8-9-18)22-6-4-5-21(17-22)26-30-29-25(35-26)19-10-11-19/h4-6,17-20H,1-3,7-16H2.

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

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 167077753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).