3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine

C10H17N3O — CID 102677324

IUPAC3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC2CCCCC2C)n1
InChIInChI=1S/C10H17N3O/c1-7-5-3-4-6-9(7)12-10-11-8(2)13-14-10/h7,9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyLGCCMHCBBNIZRW-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.37
Rot. Bonds2

About 3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine

3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine (PubChem CID 102677324) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
PubChem CID102677324
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC2CCCCC2C)n1
InChIInChI=1S/C10H17N3O/c1-7-5-3-4-6-9(7)12-10-11-8(2)13-14-10/h7,9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyLGCCMHCBBNIZRW-UHFFFAOYSA-N
XLogP2.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine (CID 102677324) is 3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine is Cc1noc(NC2CCCCC2C)n1.
What is the InChIKey of 3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is LGCCMHCBBNIZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-5-3-4-6-9(7)12-10-11-8(2)13-14-10/h7,9H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine?
3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 195.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 102677324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).