[4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C16H22N4O — CID 115442764

IUPAC[4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc(Cc3ccccn3)no2)CC1
InChIInChI=1S/C16H22N4O/c1-12-5-7-16(11-17,8-6-12)15-19-14(20-21-15)10-13-4-2-3-9-18-13/h2-4,9,12H,5-8,10-11,17H2,1H3
InChIKeyLBTWJFMEAQUUQD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.46
Rot. Bonds4

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

[4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 115442764) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID115442764
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc(Cc3ccccn3)no2)CC1
InChIInChI=1S/C16H22N4O/c1-12-5-7-16(11-17,8-6-12)15-19-14(20-21-15)10-13-4-2-3-9-18-13/h2-4,9,12H,5-8,10-11,17H2,1H3
InChIKeyLBTWJFMEAQUUQD-UHFFFAOYSA-N
XLogP2.46
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 115442764) is [4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is CC1CCC(CN)(c2nc(Cc3ccccn3)no2)CC1.
What is the InChIKey of [4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is LBTWJFMEAQUUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-5-7-16(11-17,8-6-12)15-19-14(20-21-15)10-13-4-2-3-9-18-13/h2-4,9,12H,5-8,10-11,17H2,1H3.
What are the key properties of [4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 115442764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).