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

C15H18N4O2 — CID 63639809

IUPAC2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C15H18N4O2/c1-3-12(20)9(2)15-18-14(19-21-15)8-13-16-10-6-4-5-7-11(10)17-13/h4-7,9,12,20H,3,8H2,1-2H3,(H,16,17)
InChIKeySDHYJMBGYJDTSA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.41
Rot. Bonds5

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

2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol (PubChem CID 63639809) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol.

Molecular Properties

Compound Name2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
PubChem CID63639809
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C15H18N4O2/c1-3-12(20)9(2)15-18-14(19-21-15)8-13-16-10-6-4-5-7-11(10)17-13/h4-7,9,12,20H,3,8H2,1-2H3,(H,16,17)
InChIKeySDHYJMBGYJDTSA-UHFFFAOYSA-N
XLogP2.41
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915286
N-[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63640674
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 63637550
(2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 98566278
3-amino-3-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 63638396
3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
CID 16615146
1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 63641529
2-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 66142750
5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 47148255
5-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63637029
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63639137
3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 63637202

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The IUPAC name of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol (CID 63639809) is 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol.
What is the SMILES notation for 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The canonical SMILES for 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol is CCC(O)C(C)c1nc(Cc2nc3ccccc3[nH]2)no1.
What is the InChIKey of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The InChIKey is SDHYJMBGYJDTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-12(20)9(2)15-18-14(19-21-15)8-13-16-10-6-4-5-7-11(10)17-13/h4-7,9,12,20H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol?
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol has a molecular weight of 286.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 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]pentan-3-ol is sourced from PubChem (CID 63639809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).