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

C16H22N4O — CID 107502083

IUPACcyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cc(-c2noc(C(N)C3CCCCC3)n2)cc(C)n1
InChIInChI=1S/C16H22N4O/c1-10-8-13(9-11(2)18-10)15-19-16(21-20-15)14(17)12-6-4-3-5-7-12/h8-9,12,14H,3-7,17H2,1-2H3
InChIKeyBVDIMHMANXQEKU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.33
Rot. Bonds3

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

cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 107502083) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID107502083
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Namecyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cc(-c2noc(C(N)C3CCCCC3)n2)cc(C)n1
InChIInChI=1S/C16H22N4O/c1-10-8-13(9-11(2)18-10)15-19-16(21-20-15)14(17)12-6-4-3-5-7-12/h8-9,12,14H,3-7,17H2,1-2H3
InChIKeyBVDIMHMANXQEKU-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61017069
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61014151
[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 114329286
cyclohexyl-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61015748
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61016877
[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 63092258
cyclohexyl-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503026
(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 107501935
cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 54901636
1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 107502112
(3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 54901778
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 107504642

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 107502083) is cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine is Cc1cc(-c2noc(C(N)C3CCCCC3)n2)cc(C)n1.
What is the InChIKey of cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is BVDIMHMANXQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-8-13(9-11(2)18-10)15-19-16(21-20-15)14(17)12-6-4-3-5-7-12/h8-9,12,14H,3-7,17H2,1-2H3.
What are the key properties of cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine?
cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 107502083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).