N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide

C18H19N7O3 — CID 91892133

About N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide

N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide (PubChem CID 91892133) has the molecular formula C18H19N7O3 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
• PubChem CID: 91892133
• Molecular Formula: C18H19N7O3
• Molecular Weight: 381.40 g/mol
• Exact Mass: 381.15
• IUPAC Name: N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(C(=O)N2CCC(n3cc(-c4nc(C)no4)nn3)C2)c1
• InChI: InChI=1S/C18H19N7O3/c1-11-19-17(28-22-11)16-10-25(23-21-16)15-6-7-24(9-15)18(27)13-4-3-5-14(8-13)20-12(2)26/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,20,26)
• InChIKey: IZPDDHSHQXJLPN-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 119.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.40
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide (CID 91892133) is N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide.

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

The canonical SMILES for N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCC(n3cc(-c4nc(C)no4)nn3)C2)c1.

What is the InChIKey of N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide?

The InChIKey is IZPDDHSHQXJLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O3/c1-11-19-17(28-22-11)16-10-25(23-21-16)15-6-7-24(9-15)18(27)13-4-3-5-14(8-13)20-12(2)26/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,20,26).

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

N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 381.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 91892133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).