N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

C24H24N4O3 — CID 86882469

About N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide

N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 86882469) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 86882469
• Molecular Formula: C24H24N4O3
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
• SMILES: CC(C)OCc1c(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)oc2ccccc12
• InChI: InChI=1S/C24H24N4O3/c1-14(2)30-13-19-18-8-3-4-9-20(18)31-21(19)24(29)25-17-7-5-6-16(12-17)23-26-22(27-28-23)15-10-11-15/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,25,29)(H,26,27,28)
• InChIKey: FOKJVCLZKMKTAP-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 93.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide (CID 86882469) is N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is CC(C)OCc1c(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)oc2ccccc12.

What is the InChIKey of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?

The InChIKey is FOKJVCLZKMKTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14(2)30-13-19-18-8-3-4-9-20(18)31-21(19)24(29)25-17-7-5-6-16(12-17)23-26-22(27-28-23)15-10-11-15/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,25,29)(H,26,27,28).

What are the key properties of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide?

N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86882469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).