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

C15H25N3O2 — CID 115292613

IUPAC4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCC1(C)CCC(c2noc(C3(N)CCOCC3)n2)CC1
InChIInChI=1S/C15H25N3O2/c1-14(2)5-3-11(4-6-14)12-17-13(20-18-12)15(16)7-9-19-10-8-15/h11H,3-10,16H2,1-2H3
InChIKeyOYKSIPNXLXNAAG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.72
Rot. Bonds2

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

4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 115292613) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID115292613
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCC1(C)CCC(c2noc(C3(N)CCOCC3)n2)CC1
InChIInChI=1S/C15H25N3O2/c1-14(2)5-3-11(4-6-14)12-17-13(20-18-12)15(16)7-9-19-10-8-15/h11H,3-10,16H2,1-2H3
InChIKeyOYKSIPNXLXNAAG-UHFFFAOYSA-N
XLogP2.72
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine with MolForge

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Related Compounds

4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292615
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 65390894
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 65391882
4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65330157
1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65332435
4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292653
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65423270
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-ethylcyclohexan-1-amine
CID 61295067
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82763025
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214627
4-(3-ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 115292520

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 115292613) is 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is CC1(C)CCC(c2noc(C3(N)CCOCC3)n2)CC1.
What is the InChIKey of 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is OYKSIPNXLXNAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-14(2)5-3-11(4-6-14)12-17-13(20-18-12)15(16)7-9-19-10-8-15/h11H,3-10,16H2,1-2H3.
What are the key properties of 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 279.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 115292613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).