N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C21H19N5O2S — CID 78862542

About N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 78862542) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 78862542
• Molecular Formula: C21H19N5O2S
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.13
• IUPAC Name: N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: Cc1cccc(Cn2nccc2NC(=O)CSc2nnc(-c3ccccc3)o2)c1
• InChI: InChI=1S/C21H19N5O2S/c1-15-6-5-7-16(12-15)13-26-18(10-11-22-26)23-19(27)14-29-21-25-24-20(28-21)17-8-3-2-4-9-17/h2-12H,13-14H2,1H3,(H,23,27)
• InChIKey: RDFYWFAXFIVGRV-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 85.84 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	405.48
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 78862542) is N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1cccc(Cn2nccc2NC(=O)CSc2nnc(-c3ccccc3)o2)c1.

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

The InChIKey is RDFYWFAXFIVGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-15-6-5-7-16(12-15)13-26-18(10-11-22-26)23-19(27)14-29-21-25-24-20(28-21)17-8-3-2-4-9-17/h2-12H,13-14H2,1H3,(H,23,27).

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

N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 78862542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).