N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide

C16H19N5O3 — CID 71869742

IUPACN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCCOC(C)c1noc(CN(C)C(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C16H19N5O3/c1-4-23-10(2)15-19-14(24-20-15)8-21(3)16(22)11-5-6-12-13(7-11)18-9-17-12/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)
InChIKeyXOXKRSIFEDHSAJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.32
Rot. Bonds6

About N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide

N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 71869742) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide
PubChem CID71869742
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCCOC(C)c1noc(CN(C)C(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C16H19N5O3/c1-4-23-10(2)15-19-14(24-20-15)8-21(3)16(22)11-5-6-12-13(7-11)18-9-17-12/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)
InChIKeyXOXKRSIFEDHSAJ-UHFFFAOYSA-N
XLogP2.32
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 95985146
5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
CID 119186927
3-[[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]benzoic acid
CID 122029274
N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 29025706
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 95787655
N-methyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43582173
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 115317434
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 60651360
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 29027206

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide (CID 71869742) is N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide is CCOC(C)c1noc(CN(C)C(=O)c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is XOXKRSIFEDHSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-4-23-10(2)15-19-14(24-20-15)8-21(3)16(22)11-5-6-12-13(7-11)18-9-17-12/h5-7,9-10H,4,8H2,1-3H3,(H,17,18).
What are the key properties of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide?
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71869742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).