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

C13H21N3O2 — CID 103985614

IUPAC1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(CC3CCOC3)no2)CCCCC1
InChIInChI=1S/C13H21N3O2/c14-13(5-2-1-3-6-13)12-15-11(16-18-12)8-10-4-7-17-9-10/h10H,1-9,14H2
InChIKeyKUHIHROOTWDXOD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.77
Rot. Bonds3

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

1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 103985614) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID103985614
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(CC3CCOC3)no2)CCCCC1
InChIInChI=1S/C13H21N3O2/c14-13(5-2-1-3-6-13)12-15-11(16-18-12)8-10-4-7-17-9-10/h10H,1-9,14H2
InChIKeyKUHIHROOTWDXOD-UHFFFAOYSA-N
XLogP1.77
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 103985614) is 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1(c2nc(CC3CCOC3)no2)CCCCC1.
What is the InChIKey of 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is KUHIHROOTWDXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-13(5-2-1-3-6-13)12-15-11(16-18-12)8-10-4-7-17-9-10/h10H,1-9,14H2.
What are the key properties of 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 103985614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).