6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide

C25H26N4O5 — CID 167772413

About 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide

6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide (PubChem CID 167772413) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 167772413
• Molecular Formula: C25H26N4O5
• Molecular Weight: 462.51 g/mol
• Exact Mass: 462.19
• IUPAC Name: 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide
• SMILES: COc1cc(C)c2cc(C(=O)Nc3ccc4oc(=O)n(CC(=O)N5CCCCC5)c4c3)[nH]c2c1
• InChI: InChI=1S/C25H26N4O5/c1-15-10-17(33-2)12-19-18(15)13-20(27-19)24(31)26-16-6-7-22-21(11-16)29(25(32)34-22)14-23(30)28-8-4-3-5-9-28/h6-7,10-13,27H,3-5,8-9,14H2,1-2H3,(H,26,31)
• InChIKey: MKJKBIOTUDANQE-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 109.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide (CID 167772413) is 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide is COc1cc(C)c2cc(C(=O)Nc3ccc4oc(=O)n(CC(=O)N5CCCCC5)c4c3)[nH]c2c1.

What is the InChIKey of 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide?

The InChIKey is MKJKBIOTUDANQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-15-10-17(33-2)12-19-18(15)13-20(27-19)24(31)26-16-6-7-22-21(11-16)29(25(32)34-22)14-23(30)28-8-4-3-5-9-28/h6-7,10-13,27H,3-5,8-9,14H2,1-2H3,(H,26,31).

What are the key properties of 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide?

6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 167772413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).