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

C16H22N4O — CID 75438087

IUPACN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1noc(C2CCCCC2)n1
InChIInChI=1S/C16H22N4O/c1-20(11-13-6-5-9-17-10-13)12-15-18-16(21-19-15)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3
InChIKeyFXSNRXBJVPVRJK-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.14
Rot. Bonds5

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

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 75438087) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID75438087
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1noc(C2CCCCC2)n1
InChIInChI=1S/C16H22N4O/c1-20(11-13-6-5-9-17-10-13)12-15-18-16(21-19-15)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3
InChIKeyFXSNRXBJVPVRJK-UHFFFAOYSA-N
XLogP3.14
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine with MolForge

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Related Compounds

(3R)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97276315
2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50956884
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine
CID 77090912
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 91828772
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 77097445
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(6-fluoro-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 91843116
N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872650
methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
CID 167922337
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 135092750
(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 129379528
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine (CID 75438087) is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine is CN(Cc1cccnc1)Cc1noc(C2CCCCC2)n1.
What is the InChIKey of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is FXSNRXBJVPVRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-20(11-13-6-5-9-17-10-13)12-15-18-16(21-19-15)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3.
What are the key properties of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine?
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 75438087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).