3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

C15H17N5O — CID 79369749

IUPAC3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC1NCCC1c1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C15H17N5O/c1-9-10(6-7-16-9)15-19-14(20-21-15)8-13-17-11-4-2-3-5-12(11)18-13/h2-5,9-10,16H,6-8H2,1H3,(H,17,18)
InChIKeyLKXQXFLOGGXJGT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.00
Rot. Bonds3

About 3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 79369749) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID79369749
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC1NCCC1c1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C15H17N5O/c1-9-10(6-7-16-9)15-19-14(20-21-15)8-13-17-11-4-2-3-5-12(11)18-13/h2-5,9-10,16H,6-8H2,1H3,(H,17,18)
InChIKeyLKXQXFLOGGXJGT-UHFFFAOYSA-N
XLogP2.00
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 63637202
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63640322
3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79372354
3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
CID 16615146
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63639137
3-[(4-fluorophenyl)sulfanylmethyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79372368
3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106814813
(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915286
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63639809
1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 63641529
5-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63637029
(2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 98566278

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 79369749) is 3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is CC1NCCC1c1nc(Cc2nc3ccccc3[nH]2)no1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is LKXQXFLOGGXJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-10(6-7-16-9)15-19-14(20-21-15)8-13-17-11-4-2-3-5-12(11)18-13/h2-5,9-10,16H,6-8H2,1H3,(H,17,18).
What are the key properties of 3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 283.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 79369749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).