N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide

C18H24N6O4 — CID 72854229

About N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide

N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 72854229) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide
• PubChem CID: 72854229
• Molecular Formula: C18H24N6O4
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.19
• IUPAC Name: N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide
• SMILES: COCC(=O)Nc1cccc(NC(=O)N2CCN(Cc3noc(C)n3)CC2)c1
• InChI: InChI=1S/C18H24N6O4/c1-13-19-16(22-28-13)11-23-6-8-24(9-7-23)18(26)21-15-5-3-4-14(10-15)20-17(25)12-27-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,20,25)(H,21,26)
• InChIKey: ACXFZIOFBXPYBH-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 112.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?

The IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide (CID 72854229) is N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide.

What is the SMILES notation for N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?

The canonical SMILES for N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide is COCC(=O)Nc1cccc(NC(=O)N2CCN(Cc3noc(C)n3)CC2)c1.

What is the InChIKey of N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?

The InChIKey is ACXFZIOFBXPYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-13-19-16(22-28-13)11-23-6-8-24(9-7-23)18(26)21-15-5-3-4-14(10-15)20-17(25)12-27-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,20,25)(H,21,26).

What are the key properties of N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?

N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-methoxyacetyl)amino]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 72854229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).