5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine

C19H17ClN6O — CID 28766344

About 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine

5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 28766344) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
• PubChem CID: 28766344
• Molecular Formula: C19H17ClN6O
• Molecular Weight: 380.84 g/mol
• Exact Mass: 380.12
• IUPAC Name: 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
• SMILES: Clc1ccc(Cc2noc(-c3ccc(NCCc4cn[nH]c4)nc3)n2)cc1
• InChI: InChI=1S/C19H17ClN6O/c20-16-4-1-13(2-5-16)9-18-25-19(27-26-18)15-3-6-17(22-12-15)21-8-7-14-10-23-24-11-14/h1-6,10-12H,7-9H2,(H,21,22)(H,23,24)
• InChIKey: ZKNQYZPAPPYKIH-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 92.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.84
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?

The IUPAC name of 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine (CID 28766344) is 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine.

What is the SMILES notation for 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?

The canonical SMILES for 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine is Clc1ccc(Cc2noc(-c3ccc(NCCc4cn[nH]c4)nc3)n2)cc1.

What is the InChIKey of 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?

The InChIKey is ZKNQYZPAPPYKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c20-16-4-1-13(2-5-16)9-18-25-19(27-26-18)15-3-6-17(22-12-15)21-8-7-14-10-23-24-11-14/h1-6,10-12H,7-9H2,(H,21,22)(H,23,24).

What are the key properties of 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?

5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 380.84 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 28766344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).