3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide

C21H21ClN4O2 — CID 56858685

About 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide

3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 56858685) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
• PubChem CID: 56858685
• Molecular Formula: C21H21ClN4O2
• Molecular Weight: 396.88 g/mol
• Exact Mass: 396.14
• IUPAC Name: 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
• SMILES: O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCc1ccccn1
• InChI: InChI=1S/C21H21ClN4O2/c22-16-7-5-15(6-8-16)21(11-3-12-21)20-26-25-19(28-20)10-9-18(27)24-14-17-4-1-2-13-23-17/h1-2,4-8,13H,3,9-12,14H2,(H,24,27)
• InChIKey: ZCSXILBLRYNMLY-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.88
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?

The IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 56858685) is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide.

What is the SMILES notation for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?

The canonical SMILES for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide is O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCc1ccccn1.

What is the InChIKey of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?

The InChIKey is ZCSXILBLRYNMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-16-7-5-15(6-8-16)21(11-3-12-21)20-26-25-19(28-20)10-9-18(27)24-14-17-4-1-2-13-23-17/h1-2,4-8,13H,3,9-12,14H2,(H,24,27).

What are the key properties of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?

3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 396.88 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 56858685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).