[3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

C8H11N5O — CID 130485451

IUPAC[3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1nccn1Cc1noc(CN)n1
InChIInChI=1S/C8H11N5O/c1-6-10-2-3-13(6)5-7-11-8(4-9)14-12-7/h2-3H,4-5,9H2,1H3
InChIKeyIQYFFWHLMYKZKM-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.08
Rot. Bonds3

About [3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 130485451) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is [3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID130485451
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name[3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1nccn1Cc1noc(CN)n1
InChIInChI=1S/C8H11N5O/c1-6-10-2-3-13(6)5-7-11-8(4-9)14-12-7/h2-3H,4-5,9H2,1H3
InChIKeyIQYFFWHLMYKZKM-UHFFFAOYSA-N
XLogP0.08
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(pyrrol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 121210241
5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53015258
3-[(2-ethylimidazol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 53193127
[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 114218088
5-ethyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115918016
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine
CID 62222657
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222505
[1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 62950336
4-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 43137964
[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117390951
[3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120753102
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 114218090

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 130485451) is [3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is Cc1nccn1Cc1noc(CN)n1.
What is the InChIKey of [3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is IQYFFWHLMYKZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-6-10-2-3-13(6)5-7-11-8(4-9)14-12-7/h2-3H,4-5,9H2,1H3.
What are the key properties of [3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 193.21 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 130485451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).