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

C14H14N4O3 — CID 72863453

IUPAC2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCO)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C14H14N4O3/c19-6-5-15-14(20)11-8-21-13(17-11)7-18-9-16-10-3-1-2-4-12(10)18/h1-4,8-9,19H,5-7H2,(H,15,20)
InChIKeyHITQFJKVBMZRAI-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.79
Rot. Bonds5

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

2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide (PubChem CID 72863453) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
PubChem CID72863453
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCO)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C14H14N4O3/c19-6-5-15-14(20)11-8-21-13(17-11)7-18-9-16-10-3-1-2-4-12(10)18/h1-4,8-9,19H,5-7H2,(H,15,20)
InChIKeyHITQFJKVBMZRAI-UHFFFAOYSA-N
XLogP0.79
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide (CID 72863453) is 2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide is O=C(NCCO)c1coc(Cn2cnc3ccccc32)n1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HITQFJKVBMZRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-6-5-15-14(20)11-8-21-13(17-11)7-18-9-16-10-3-1-2-4-12(10)18/h1-4,8-9,19H,5-7H2,(H,15,20).
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72863453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).