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

C15H19N5O — CID 63637550

IUPAC2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C15H19N5O/c1-3-16-9-10(2)15-19-14(20-21-15)8-13-17-11-6-4-5-7-12(11)18-13/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyFTJNZYBXLAFSBU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.25
Rot. Bonds6

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

2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine (PubChem CID 63637550) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
PubChem CID63637550
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C15H19N5O/c1-3-16-9-10(2)15-19-14(20-21-15)8-13-17-11-6-4-5-7-12(11)18-13/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyFTJNZYBXLAFSBU-UHFFFAOYSA-N
XLogP2.25
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]pentan-3-ol
CID 63639809
(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915286
3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
CID 16615146
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 62854064
(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
1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 63641529
N-ethyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62853169
N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62852253
N-ethyl-2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62852078
5-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63637029

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
The IUPAC name of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine (CID 63637550) is 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine is CCNCC(C)c1nc(Cc2nc3ccccc3[nH]2)no1.
What is the InChIKey of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
The InChIKey is FTJNZYBXLAFSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-16-9-10(2)15-19-14(20-21-15)8-13-17-11-6-4-5-7-12(11)18-13/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 2.25, 6 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]-N-ethylpropan-1-amine is sourced from PubChem (CID 63637550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).