5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole

C13H10N2O2S — CID 718731

IUPAC5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1ccc(OCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C13H10N2O2S/c1-2-5-10(6-3-1)16-9-12-14-13(15-17-12)11-7-4-8-18-11/h1-8H,9H2
InChIKeyPVPABDHZXOHEGH-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.38
Rot. Bonds4

About 5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole

5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 718731) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID718731
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1ccc(OCc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C13H10N2O2S/c1-2-5-10(6-3-1)16-9-12-14-13(15-17-12)11-7-4-8-18-11/h1-8H,9H2
InChIKeyPVPABDHZXOHEGH-UHFFFAOYSA-N
XLogP3.38
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole 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 5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 718731) is 5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole is c1ccc(OCc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is PVPABDHZXOHEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-2-5-10(6-3-1)16-9-12-14-13(15-17-12)11-7-4-8-18-11/h1-8H,9H2.
What are the key properties of 5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 258.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 718731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).