3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C13H11N3O2S — CID 62716536

IUPAC3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1sccc1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C13H11N3O2S/c14-12-10(6-7-19-12)13-15-11(16-18-13)8-17-9-4-2-1-3-5-9/h1-7H,8,14H2
InChIKeyLRXHSNAGROQOFK-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.96
Rot. Bonds4

About 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 62716536) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID62716536
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1sccc1-c1nc(COc2ccccc2)no1
InChIInChI=1S/C13H11N3O2S/c14-12-10(6-7-19-12)13-15-11(16-18-13)8-17-9-4-2-1-3-5-9/h1-7H,8,14H2
InChIKeyLRXHSNAGROQOFK-UHFFFAOYSA-N
XLogP2.96
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-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-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 62716536) is 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Nc1sccc1-c1nc(COc2ccccc2)no1.
What is the InChIKey of 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is LRXHSNAGROQOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c14-12-10(6-7-19-12)13-15-11(16-18-13)8-17-9-4-2-1-3-5-9/h1-7H,8,14H2.
What are the key properties of 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 273.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 62716536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).