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

C16H22N4O — CID 107501890

IUPAC1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCc1cc(-c2noc(C3(N)CCC(C)CC3)n2)cc(C)n1
InChIInChI=1S/C16H22N4O/c1-10-4-6-16(17,7-5-10)15-19-14(20-21-15)13-8-11(2)18-12(3)9-13/h8-10H,4-7,17H2,1-3H3
InChIKeyCFWMMMVYCUEFIP-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.11
Rot. Bonds2

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

1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine (PubChem CID 107501890) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
PubChem CID107501890
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCc1cc(-c2noc(C3(N)CCC(C)CC3)n2)cc(C)n1
InChIInChI=1S/C16H22N4O/c1-10-4-6-16(17,7-5-10)15-19-14(20-21-15)13-8-11(2)18-12(3)9-13/h8-10H,4-7,17H2,1-3H3
InChIKeyCFWMMMVYCUEFIP-UHFFFAOYSA-N
XLogP3.11
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine (CID 107501890) is 1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine is Cc1cc(-c2noc(C3(N)CCC(C)CC3)n2)cc(C)n1.
What is the InChIKey of 1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The InChIKey is CFWMMMVYCUEFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-4-6-16(17,7-5-10)15-19-14(20-21-15)13-8-11(2)18-12(3)9-13/h8-10H,4-7,17H2,1-3H3.
What are the key properties of 1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 107501890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).