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

C13H19N5O — CID 82895650

IUPAC[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCn1cncc1-c1noc(C2CCCCC2CN)n1
InChIInChI=1S/C13H19N5O/c1-18-8-15-7-11(18)12-16-13(19-17-12)10-5-3-2-4-9(10)6-14/h7-10H,2-6,14H2,1H3
InChIKeyOSMTYLPHUOAFDO-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.70
Rot. Bonds3

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

[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 82895650) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID82895650
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCn1cncc1-c1noc(C2CCCCC2CN)n1
InChIInChI=1S/C13H19N5O/c1-18-8-15-7-11(18)12-16-13(19-17-12)10-5-3-2-4-9(10)6-14/h7-10H,2-6,14H2,1H3
InChIKeyOSMTYLPHUOAFDO-UHFFFAOYSA-N
XLogP1.70
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 82895650) is [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is Cn1cncc1-c1noc(C2CCCCC2CN)n1.
What is the InChIKey of [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is OSMTYLPHUOAFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-18-8-15-7-11(18)12-16-13(19-17-12)10-5-3-2-4-9(10)6-14/h7-10H,2-6,14H2,1H3.
What are the key properties of [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 261.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 82895650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).