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

C19H20N4O2S — CID 131890257

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

N-[(2,5-dimethylphenyl)methyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 131890257) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-[(2,5-dimethylphenyl)methyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
• PubChem CID: 131890257
• Molecular Formula: C19H20N4O2S
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.13
• IUPAC Name: N-[(2,5-dimethylphenyl)methyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
• SMILES: Cc1ccc(C)c(CNC(=O)CCSc2nnc(-c3ccncc3)o2)c1
• InChI: InChI=1S/C19H20N4O2S/c1-13-3-4-14(2)16(11-13)12-21-17(24)7-10-26-19-23-22-18(25-19)15-5-8-20-9-6-15/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,24)
• InChIKey: UXHDGEGJELQTFL-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 131890257) is N-[(2,5-dimethylphenyl)methyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

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

The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is Cc1ccc(C)c(CNC(=O)CCSc2nnc(-c3ccncc3)o2)c1.

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

The InChIKey is UXHDGEGJELQTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13-3-4-14(2)16(11-13)12-21-17(24)7-10-26-19-23-22-18(25-19)15-5-8-20-9-6-15/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,24).

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

N-[(2,5-dimethylphenyl)methyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 368.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,5-dimethylphenyl)methyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 131890257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).