5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile

C11H6N4O2 — CID 116858929

IUPAC5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc3[nH]c(=O)[nH]c3c2)on1
InChIInChI=1S/C11H6N4O2/c12-5-7-4-10(17-15-7)6-1-2-8-9(3-6)14-11(16)13-8/h1-4H,(H2,13,14,16)
InChIKeyUOYGDAGXFOHPJE-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.38
Rot. Bonds1

About 5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile

5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile (PubChem CID 116858929) has the molecular formula C11H6N4O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile
PubChem CID116858929
Molecular FormulaC11H6N4O2
Molecular Weight226.20 g/mol
Exact Mass226.05
IUPAC Name5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc3[nH]c(=O)[nH]c3c2)on1
InChIInChI=1S/C11H6N4O2/c12-5-7-4-10(17-15-7)6-1-2-8-9(3-6)14-11(16)13-8/h1-4H,(H2,13,14,16)
InChIKeyUOYGDAGXFOHPJE-UHFFFAOYSA-N
XLogP1.38
TPSA98.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile?
The IUPAC name of 5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile (CID 116858929) is 5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile is N#Cc1cc(-c2ccc3[nH]c(=O)[nH]c3c2)on1.
What is the InChIKey of 5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile?
The InChIKey is UOYGDAGXFOHPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O2/c12-5-7-4-10(17-15-7)6-1-2-8-9(3-6)14-11(16)13-8/h1-4H,(H2,13,14,16).
What are the key properties of 5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile?
5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile has a molecular weight of 226.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 116858929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).