N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C24H18ClN5O2 — CID 78887811

About N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 78887811) has the molecular formula C24H18ClN5O2 and a molecular weight of 443.89 g/mol. Its IUPAC name is N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 78887811
• Molecular Formula: C24H18ClN5O2
• Molecular Weight: 443.89 g/mol
• Exact Mass: 443.11
• IUPAC Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: N#CC(c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1Cl
• InChI: InChI=1S/C24H18ClN5O2/c25-20-14-17(9-10-18(20)19(15-26)16-6-2-1-3-7-16)28-22(31)11-12-23-29-24(30-32-23)21-8-4-5-13-27-21/h1-10,13-14,19H,11-12H2,(H,28,31)
• InChIKey: ZZNKEWUIIXLFGE-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 104.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.89
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 78887811) is N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is N#CC(c1ccccc1)c1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1Cl.

What is the InChIKey of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is ZZNKEWUIIXLFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2/c25-20-14-17(9-10-18(20)19(15-26)16-6-2-1-3-7-16)28-22(31)11-12-23-29-24(30-32-23)21-8-4-5-13-27-21/h1-10,13-14,19H,11-12H2,(H,28,31).

What are the key properties of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 443.89 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 78887811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).