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

C14H11F3N4O2 — CID 25286386

IUPAC2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C14H11F3N4O2/c15-14(16,17)7-18-13(22)10-6-23-12(20-10)5-21-8-19-9-3-1-2-4-11(9)21/h1-4,6,8H,5,7H2,(H,18,22)
InChIKeyGQTZVCHEJYAWOS-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.36
Rot. Bonds4

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

2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 25286386) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
PubChem CID25286386
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C14H11F3N4O2/c15-14(16,17)7-18-13(22)10-6-23-12(20-10)5-21-8-19-9-3-1-2-4-11(9)21/h1-4,6,8H,5,7H2,(H,18,22)
InChIKeyGQTZVCHEJYAWOS-UHFFFAOYSA-N
XLogP2.36
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 25286386) is 2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is O=C(NCC(F)(F)F)c1coc(Cn2cnc3ccccc32)n1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GQTZVCHEJYAWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c15-14(16,17)7-18-13(22)10-6-23-12(20-10)5-21-8-19-9-3-1-2-4-11(9)21/h1-4,6,8H,5,7H2,(H,18,22).
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 324.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25286386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).