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

C13H21N3O2 — CID 65332435

IUPAC1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(C3CCCOC3)no2)CCCCC1
InChIInChI=1S/C13H21N3O2/c14-13(6-2-1-3-7-13)12-15-11(16-18-12)10-5-4-8-17-9-10/h10H,1-9,14H2
InChIKeyMFJHAKFNSDELIM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds2

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

1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 65332435) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID65332435
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(C3CCCOC3)no2)CCCCC1
InChIInChI=1S/C13H21N3O2/c14-13(6-2-1-3-7-13)12-15-11(16-18-12)10-5-4-8-17-9-10/h10H,1-9,14H2
InChIKeyMFJHAKFNSDELIM-UHFFFAOYSA-N
XLogP2.08
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 65391882
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489
4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65330157
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 65390894
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65423270
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292613
1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103985614
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine
CID 64981922
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-ethylcyclohexan-1-amine
CID 61295067
3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole
CID 72911854
1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103985754
5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330606

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 65332435) is 1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1(c2nc(C3CCCOC3)no2)CCCCC1.
What is the InChIKey of 1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is MFJHAKFNSDELIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-13(6-2-1-3-7-13)12-15-11(16-18-12)10-5-4-8-17-9-10/h10H,1-9,14H2.
What are the key properties of 1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 65332435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).