2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone

C15H14N4O2 — CID 63639137

IUPAC2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
SMILESO=C(Cc1nc(Cc2nc3ccccc3[nH]2)no1)C1CC1
InChIInChI=1S/C15H14N4O2/c20-12(9-5-6-9)7-15-18-14(19-21-15)8-13-16-10-3-1-2-4-11(10)17-13/h1-4,9H,5-8H2,(H,16,17)
InChIKeyCTSVMDRFWDHDLE-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.06
Rot. Bonds5

About 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone

2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone (PubChem CID 63639137) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone.

Molecular Properties

Compound Name2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
PubChem CID63639137
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
SMILESO=C(Cc1nc(Cc2nc3ccccc3[nH]2)no1)C1CC1
InChIInChI=1S/C15H14N4O2/c20-12(9-5-6-9)7-15-18-14(19-21-15)8-13-16-10-3-1-2-4-11(10)17-13/h1-4,9H,5-8H2,(H,16,17)
InChIKeyCTSVMDRFWDHDLE-UHFFFAOYSA-N
XLogP2.06
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone?
The IUPAC name of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone (CID 63639137) is 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone.
What is the SMILES notation for 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone?
The canonical SMILES for 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone is O=C(Cc1nc(Cc2nc3ccccc3[nH]2)no1)C1CC1.
What is the InChIKey of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone?
The InChIKey is CTSVMDRFWDHDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-12(9-5-6-9)7-15-18-14(19-21-15)8-13-16-10-3-1-2-4-11(10)17-13/h1-4,9H,5-8H2,(H,16,17).
What are the key properties of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone?
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone has a molecular weight of 282.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone is sourced from PubChem (CID 63639137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).