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

C15H17N5O — CID 115446095

IUPAC[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESNCC1(c2nc(Cc3nc4ccccc4[nH]3)no2)CCC1
InChIInChI=1S/C15H17N5O/c16-9-15(6-3-7-15)14-19-13(20-21-14)8-12-17-10-4-1-2-5-11(10)18-12/h1-2,4-5H,3,6-9,16H2,(H,17,18)
InChIKeyGNVBPJBMBQINAA-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.92
Rot. Bonds4

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

[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (PubChem CID 115446095) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is [1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
PubChem CID115446095
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESNCC1(c2nc(Cc3nc4ccccc4[nH]3)no2)CCC1
InChIInChI=1S/C15H17N5O/c16-9-15(6-3-7-15)14-19-13(20-21-14)8-12-17-10-4-1-2-5-11(10)18-12/h1-2,4-5H,3,6-9,16H2,(H,17,18)
InChIKeyGNVBPJBMBQINAA-UHFFFAOYSA-N
XLogP1.92
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (CID 115446095) is [1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is NCC1(c2nc(Cc3nc4ccccc4[nH]3)no2)CCC1.
What is the InChIKey of [1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The InChIKey is GNVBPJBMBQINAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-9-15(6-3-7-15)14-19-13(20-21-14)8-12-17-10-4-1-2-5-11(10)18-12/h1-2,4-5H,3,6-9,16H2,(H,17,18).
What are the key properties of [1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is sourced from PubChem (CID 115446095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).