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

C15H17N5O3 — CID 77085663

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide
SMILESCOCCc1noc(CN(C)C(=O)c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H17N5O3/c1-20(9-13-18-12(19-23-13)7-8-22-2)15(21)14-16-10-5-3-4-6-11(10)17-14/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKeyYXXWZMSWORBYQF-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.41
Rot. Bonds6

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

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide (PubChem CID 77085663) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide
PubChem CID77085663
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide
SMILESCOCCc1noc(CN(C)C(=O)c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H17N5O3/c1-20(9-13-18-12(19-23-13)7-8-22-2)15(21)14-16-10-5-3-4-6-11(10)17-14/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKeyYXXWZMSWORBYQF-UHFFFAOYSA-N
XLogP1.41
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 72931424
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 91659747
5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide
CID 120635057
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
CID 135112631
5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide
CID 78086018
4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
CID 91917705
5-[[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753344
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
3-(2-chloro-5-fluorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylurea
CID 71920225
(4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97132873
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 118764635
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide (CID 77085663) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide is COCCc1noc(CN(C)C(=O)c2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide?
The InChIKey is YXXWZMSWORBYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-20(9-13-18-12(19-23-13)7-8-22-2)15(21)14-16-10-5-3-4-6-11(10)17-14/h3-6H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 77085663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).