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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide
SMILESCOc1cc(C)c2cc(C(=O)Nc3ccc4oc(=O)n(CC(=O)N5CCCCC5)c4c3)[nH]c2c1
InChIInChI=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)
InChIKeyMKJKBIOTUDANQE-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.66
Rot. Bonds5

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 Name6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide
PubChem CID167772413
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide
SMILESCOc1cc(C)c2cc(C(=O)Nc3ccc4oc(=O)n(CC(=O)N5CCCCC5)c4c3)[nH]c2c1
InChIInChI=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)
InChIKeyMKJKBIOTUDANQE-UHFFFAOYSA-N
XLogP3.66
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).

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