3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide

C21H19N5O3 — CID 50983094

About 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide

3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide (PubChem CID 50983094) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
• PubChem CID: 50983094
• Molecular Formula: C21H19N5O3
• Molecular Weight: 389.42 g/mol
• Exact Mass: 389.15
• IUPAC Name: 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
• SMILES: Cc1ccccc1-c1noc(CCC(=O)NCc2cc(-c3cccnc3)no2)n1
• InChI: InChI=1S/C21H19N5O3/c1-14-5-2-3-7-17(14)21-24-20(29-26-21)9-8-19(27)23-13-16-11-18(25-28-16)15-6-4-10-22-12-15/h2-7,10-12H,8-9,13H2,1H3,(H,23,27)
• InChIKey: DOKSJRPEPSGAAW-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 106.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.42
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide (CID 50983094) is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide.

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

The canonical SMILES for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide is Cc1ccccc1-c1noc(CCC(=O)NCc2cc(-c3cccnc3)no2)n1.

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

The InChIKey is DOKSJRPEPSGAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-14-5-2-3-7-17(14)21-24-20(29-26-21)9-8-19(27)23-13-16-11-18(25-28-16)15-6-4-10-22-12-15/h2-7,10-12H,8-9,13H2,1H3,(H,23,27).

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

3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide has a molecular weight of 389.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 50983094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).