N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine

C16H22N4O — CID 63352344

IUPACN-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESCNC1CCCCCC1c1nc(Cc2ccncc2)no1
InChIInChI=1S/C16H22N4O/c1-17-14-6-4-2-3-5-13(14)16-19-15(20-21-16)11-12-7-9-18-10-8-12/h7-10,13-14,17H,2-6,11H2,1H3
InChIKeyJOYSZRCMXCJRND-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine

N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (PubChem CID 63352344) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
PubChem CID63352344
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESCNC1CCCCCC1c1nc(Cc2ccncc2)no1
InChIInChI=1S/C16H22N4O/c1-17-14-6-4-2-3-5-13(14)16-19-15(20-21-16)11-12-7-9-18-10-8-12/h7-10,13-14,17H,2-6,11H2,1H3
InChIKeyJOYSZRCMXCJRND-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63347737
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylcyclopentan-1-amine
CID 63348240
N-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350657
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 65144329
N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63352407
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63892415
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 79085090
N-methyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 63351977
N-methyl-2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 55203203
2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63344730
N-methyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63347343
N-methyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65134418

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The IUPAC name of N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (CID 63352344) is N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is CNC1CCCCCC1c1nc(Cc2ccncc2)no1.
What is the InChIKey of N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The InChIKey is JOYSZRCMXCJRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-17-14-6-4-2-3-5-13(14)16-19-15(20-21-16)11-12-7-9-18-10-8-12/h7-10,13-14,17H,2-6,11H2,1H3.
What are the key properties of N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is sourced from PubChem (CID 63352344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).