N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

C16H22N4O — CID 114877017

IUPACN-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nc(-c3cnccc3C)no2)CCCCC1
InChIInChI=1S/C16H22N4O/c1-12-6-9-18-11-13(12)15-19-14(21-20-15)10-16(17-2)7-4-3-5-8-16/h6,9,11,17H,3-5,7-8,10H2,1-2H3
InChIKeyXFOONHODZRKYJP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.90
Rot. Bonds4

About N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 114877017) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID114877017
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nc(-c3cnccc3C)no2)CCCCC1
InChIInChI=1S/C16H22N4O/c1-12-6-9-18-11-13(12)15-19-14(21-20-15)10-16(17-2)7-4-3-5-8-16/h6,9,11,17H,3-5,7-8,10H2,1-2H3
InChIKeyXFOONHODZRKYJP-UHFFFAOYSA-N
XLogP2.90
TPSA63.84 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 65243362
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114876515
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 65243026
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 65243169
O-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 114876733
4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 114878987
2-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483708
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 114877100
3-(4-methyl-3-pyridinyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 114876890
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 114876703
3-(4-methyl-3-pyridinyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 114877020
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114878940

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 114877017) is N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CNC1(Cc2nc(-c3cnccc3C)no2)CCCCC1.
What is the InChIKey of N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is XFOONHODZRKYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-6-9-18-11-13(12)15-19-14(21-20-15)10-16(17-2)7-4-3-5-8-16/h6,9,11,17H,3-5,7-8,10H2,1-2H3.
What are the key properties of N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 114877017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).