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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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).