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

C26H31F2N5O4 — CID 166976767

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

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-ethoxy-1,3,4-oxadiazol-2-yl)phenyl]-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 166976767) has the molecular formula C26H31F2N5O4 and a molecular weight of 515.56 g/mol. Its IUPAC name is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-ethoxy-1,3,4-oxadiazol-2-yl)phenyl]-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-ethoxy-1,3,4-oxadiazol-2-yl)phenyl]-3,3-difluorocyclopentane-1-carboxamide
• PubChem CID: 166976767
• Molecular Formula: C26H31F2N5O4
• Molecular Weight: 515.56 g/mol
• Exact Mass: 515.23
• IUPAC Name: N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-ethoxy-1,3,4-oxadiazol-2-yl)phenyl]-3,3-difluorocyclopentane-1-carboxamide
• SMILES: CCOc1nnc(-c2cccc(N(CCCCCc3nc(C4CC4)no3)C(=O)C3CCC(F)(F)C3)c2)o1
• InChI: InChI=1S/C26H31F2N5O4/c1-2-35-25-31-30-23(36-25)18-7-6-8-20(15-18)33(24(34)19-12-13-26(27,28)16-19)14-5-3-4-9-21-29-22(32-37-21)17-10-11-17/h6-8,15,17,19H,2-5,9-14,16H2,1H3
• InChIKey: JWXJEICLCMINBI-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 107.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.56
LogP ≤ 5	5.58
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-ethoxy-1,3,4-oxadiazol-2-yl)phenyl]-3,3-difluorocyclopentane-1-carboxamide?

The IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-ethoxy-1,3,4-oxadiazol-2-yl)phenyl]-3,3-difluorocyclopentane-1-carboxamide (CID 166976767) is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-ethoxy-1,3,4-oxadiazol-2-yl)phenyl]-3,3-difluorocyclopentane-1-carboxamide.

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

The canonical SMILES for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-ethoxy-1,3,4-oxadiazol-2-yl)phenyl]-3,3-difluorocyclopentane-1-carboxamide is CCOc1nnc(-c2cccc(N(CCCCCc3nc(C4CC4)no3)C(=O)C3CCC(F)(F)C3)c2)o1.

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

The InChIKey is JWXJEICLCMINBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N5O4/c1-2-35-25-31-30-23(36-25)18-7-6-8-20(15-18)33(24(34)19-12-13-26(27,28)16-19)14-5-3-4-9-21-29-22(32-37-21)17-10-11-17/h6-8,15,17,19H,2-5,9-14,16H2,1H3.

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

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-ethoxy-1,3,4-oxadiazol-2-yl)phenyl]-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 515.56 g/mol, XLogP of 5.58, 12 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-ethoxy-1,3,4-oxadiazol-2-yl)phenyl]-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 166976767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).