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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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).