3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

C13H21N3O2 — CID 65390894

IUPAC3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESNC1(c2nc(C3CCCCCC3)no2)CCOC1
InChIInChI=1S/C13H21N3O2/c14-13(7-8-17-9-13)12-15-11(16-18-12)10-5-3-1-2-4-6-10/h10H,1-9,14H2
InChIKeyICDVCDSNQITGMD-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds2

About 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 65390894) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID65390894
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESNC1(c2nc(C3CCCCCC3)no2)CCOC1
InChIInChI=1S/C13H21N3O2/c14-13(7-8-17-9-13)12-15-11(16-18-12)10-5-3-1-2-4-6-10/h10H,1-9,14H2
InChIKeyICDVCDSNQITGMD-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-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-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292613
1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65332435
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-ethylcyclohexan-1-amine
CID 61295067
[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450845
4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292615
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65423270
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine
CID 64981922
3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64982340
3-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116743659
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
CID 66248370

Frequently Asked Questions

What is the IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 65390894) is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is NC1(c2nc(C3CCCCCC3)no2)CCOC1.
What is the InChIKey of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is ICDVCDSNQITGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-13(7-8-17-9-13)12-15-11(16-18-12)10-5-3-1-2-4-6-10/h10H,1-9,14H2.
What are the key properties of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-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 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 65390894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).