2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide

C16H18N4O3 — CID 72859464

IUPAC2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C16H18N4O3/c1-19(7-8-22-2)16(21)13-10-23-15(18-13)9-20-11-17-12-5-3-4-6-14(12)20/h3-6,10-11H,7-9H2,1-2H3
InChIKeyKWZCYQHIEGUKFJ-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.79
Rot. Bonds6

About 2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide

2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 72859464) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID72859464
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C16H18N4O3/c1-19(7-8-22-2)16(21)13-10-23-15(18-13)9-20-11-17-12-5-3-4-6-14(12)20/h3-6,10-11H,7-9H2,1-2H3
InChIKeyKWZCYQHIEGUKFJ-UHFFFAOYSA-N
XLogP1.79
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 45202288
2-(benzimidazol-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]-1,3-oxazole-4-carboxamide
CID 42198041
2-(benzimidazol-1-ylmethyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide
CID 42396338
2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45219502
[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone
CID 95225726
[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 25275406
ethyl 5-(benzimidazol-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylate
CID 170838347
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 48962776
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 146045481
N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
CID 43253838
2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 47006781

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide (CID 72859464) is 2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide is COCCN(C)C(=O)c1coc(Cn2cnc3ccccc32)n1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is KWZCYQHIEGUKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-19(7-8-22-2)16(21)13-10-23-15(18-13)9-20-11-17-12-5-3-4-6-14(12)20/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72859464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).