3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine

C15H19N3O2S — CID 79962025

IUPAC3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
SMILESNC(CCc1nc(C2CSCCO2)no1)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c16-12(11-4-2-1-3-5-11)6-7-14-17-15(18-20-14)13-10-21-9-8-19-13/h1-5,12-13H,6-10,16H2
InChIKeyJAGUMFDXVRTQJD-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.51
Rot. Bonds5

About 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine

3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine (PubChem CID 79962025) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
PubChem CID79962025
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
SMILESNC(CCc1nc(C2CSCCO2)no1)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c16-12(11-4-2-1-3-5-11)6-7-14-17-15(18-20-14)13-10-21-9-8-19-13/h1-5,12-13H,6-10,16H2
InChIKeyJAGUMFDXVRTQJD-UHFFFAOYSA-N
XLogP2.51
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The IUPAC name of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine (CID 79962025) is 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine.
What is the SMILES notation for 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The canonical SMILES for 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine is NC(CCc1nc(C2CSCCO2)no1)c1ccccc1.
What is the InChIKey of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The InChIKey is JAGUMFDXVRTQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-12(11-4-2-1-3-5-11)6-7-14-17-15(18-20-14)13-10-21-9-8-19-13/h1-5,12-13H,6-10,16H2.
What are the key properties of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine has a molecular weight of 305.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine is sourced from PubChem (CID 79962025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).