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

C14H23N3O2 — CID 55048048

IUPAC3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCC1CCCC(N)(c2noc(C3CCCCO3)n2)C1
InChIInChI=1S/C14H23N3O2/c1-10-5-4-7-14(15,9-10)13-16-12(19-17-13)11-6-2-3-8-18-11/h10-11H,2-9,15H2,1H3
InChIKeyMIQYKPSSZFMJFW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.68
Rot. Bonds2

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

3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 55048048) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID55048048
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCC1CCCC(N)(c2noc(C3CCCCO3)n2)C1
InChIInChI=1S/C14H23N3O2/c1-10-5-4-7-14(15,9-10)13-16-12(19-17-13)11-6-2-3-8-18-11/h10-11H,2-9,15H2,1H3
InChIKeyMIQYKPSSZFMJFW-UHFFFAOYSA-N
XLogP2.68
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 61352528
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 43559385
3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 43559629
3-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922589
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523
1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81327799
3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352329
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352127
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352732
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449651
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 55048048) is 3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is CC1CCCC(N)(c2noc(C3CCCCO3)n2)C1.
What is the InChIKey of 3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is MIQYKPSSZFMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-5-4-7-14(15,9-10)13-16-12(19-17-13)11-6-2-3-8-18-11/h10-11H,2-9,15H2,1H3.
What are the key properties of 3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 55048048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).