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

C15H20N4O — CID 114876893

IUPAC3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1ccncc1-c1noc(C2(N)CCCC(C)C2)n1
InChIInChI=1S/C15H20N4O/c1-10-4-3-6-15(16,8-10)14-18-13(19-20-14)12-9-17-7-5-11(12)2/h5,7,9-10H,3-4,6,8,16H2,1-2H3
InChIKeyNARBKUIRUSPIAM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.80
Rot. Bonds2

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

3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 114876893) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID114876893
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1ccncc1-c1noc(C2(N)CCCC(C)C2)n1
InChIInChI=1S/C15H20N4O/c1-10-4-3-6-15(16,8-10)14-18-13(19-20-14)12-9-17-7-5-11(12)2/h5,7,9-10H,3-4,6,8,16H2,1-2H3
InChIKeyNARBKUIRUSPIAM-UHFFFAOYSA-N
XLogP2.80
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 61289970
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 61291082
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 61292404
3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 106847195
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 79783090
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine
CID 64981922
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62389084
2-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483708
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81274229
5-(4-methylpiperidin-2-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 114876582
O-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 114876733
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
CID 75526673

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 114876893) is 3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is Cc1ccncc1-c1noc(C2(N)CCCC(C)C2)n1.
What is the InChIKey of 3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is NARBKUIRUSPIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-4-3-6-15(16,8-10)14-18-13(19-20-14)12-9-17-7-5-11(12)2/h5,7,9-10H,3-4,6,8,16H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 114876893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).