N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide

C19H19N5O3S — CID 2504906

About N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide

N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 2504906) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
• PubChem CID: 2504906
• Molecular Formula: C19H19N5O3S
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.12
• IUPAC Name: N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
• SMILES: Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3cccnc3)o2)cc1
• InChI: InChI=1S/C19H19N5O3S/c1-13-5-7-15(8-6-13)21-16(25)11-24(2)17(26)12-28-19-23-22-18(27-19)14-4-3-9-20-10-14/h3-10H,11-12H2,1-2H3,(H,21,25)
• InChIKey: PPBRGAPQJYEGEJ-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide (CID 2504906) is N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide.

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

The canonical SMILES for N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3cccnc3)o2)cc1.

What is the InChIKey of N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide?

The InChIKey is PPBRGAPQJYEGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-13-5-7-15(8-6-13)21-16(25)11-24(2)17(26)12-28-19-23-22-18(27-19)14-4-3-9-20-10-14/h3-10H,11-12H2,1-2H3,(H,21,25).

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

N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-2-[methyl-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 2504906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).