3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one

C13H14N4O3 — CID 72904176

IUPAC3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one
SMILESCOCCc1noc(Cn2c(=O)[nH]c3ccccc32)n1
InChIInChI=1S/C13H14N4O3/c1-19-7-6-11-15-12(20-16-11)8-17-10-5-3-2-4-9(10)14-13(17)18/h2-5H,6-8H2,1H3,(H,14,18)
InChIKeyAXIURDBUCCVXMY-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.95
Rot. Bonds5

About 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one

3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one (PubChem CID 72904176) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one
PubChem CID72904176
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one
SMILESCOCCc1noc(Cn2c(=O)[nH]c3ccccc32)n1
InChIInChI=1S/C13H14N4O3/c1-19-7-6-11-15-12(20-16-11)8-17-10-5-3-2-4-9(10)14-13(17)18/h2-5H,6-8H2,1H3,(H,14,18)
InChIKeyAXIURDBUCCVXMY-UHFFFAOYSA-N
XLogP0.95
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one (CID 72904176) is 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one is COCCc1noc(Cn2c(=O)[nH]c3ccccc32)n1.
What is the InChIKey of 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one?
The InChIKey is AXIURDBUCCVXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-19-7-6-11-15-12(20-16-11)8-17-10-5-3-2-4-9(10)14-13(17)18/h2-5H,6-8H2,1H3,(H,14,18).
What are the key properties of 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one?
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one has a molecular weight of 274.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 72904176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).