[1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C16H22N4O — CID 107501925

IUPAC[1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCc1cc(-c2noc(C3(CN)CCCCC3)n2)cc(C)n1
InChIInChI=1S/C16H22N4O/c1-11-8-13(9-12(2)18-11)14-19-15(21-20-14)16(10-17)6-4-3-5-7-16/h8-9H,3-7,10,17H2,1-2H3
InChIKeyGQVNDGCIYSSTEH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.91
Rot. Bonds3

About [1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

[1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 107501925) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID107501925
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCc1cc(-c2noc(C3(CN)CCCCC3)n2)cc(C)n1
InChIInChI=1S/C16H22N4O/c1-11-8-13(9-12(2)18-11)14-19-15(21-20-14)16(10-17)6-4-3-5-7-16/h8-9H,3-7,10,17H2,1-2H3
InChIKeyGQVNDGCIYSSTEH-UHFFFAOYSA-N
XLogP2.91
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115436512
[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436480
[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 115444583
[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 113311262
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 107501890
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790397
[1-(3-methyl-1,2-oxazol-5-yl)cyclopentyl]methanamine
CID 82600680
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 107502143
[1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 115446160
[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 106847445

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 107501925) is [1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is Cc1cc(-c2noc(C3(CN)CCCCC3)n2)cc(C)n1.
What is the InChIKey of [1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is GQVNDGCIYSSTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-8-13(9-12(2)18-11)14-19-15(21-20-14)16(10-17)6-4-3-5-7-16/h8-9H,3-7,10,17H2,1-2H3.
What are the key properties of [1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 107501925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).