3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

C14H12N2O2S — CID 803048

IUPAC3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(Cc3cccs3)n2)cc1
InChIInChI=1S/C14H12N2O2S/c1-17-11-6-4-10(5-7-11)14-15-13(18-16-14)9-12-3-2-8-19-12/h2-8H,9H2,1H3
InChIKeyWVFXYWMDPKXDLG-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.40
Rot. Bonds4

About 3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 803048) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID803048
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(Cc3cccs3)n2)cc1
InChIInChI=1S/C14H12N2O2S/c1-17-11-6-4-10(5-7-11)14-15-13(18-16-14)9-12-3-2-8-19-12/h2-8H,9H2,1H3
InChIKeyWVFXYWMDPKXDLG-UHFFFAOYSA-N
XLogP3.40
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 803048) is 3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(Cc3cccs3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is WVFXYWMDPKXDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-17-11-6-4-10(5-7-11)14-15-13(18-16-14)9-12-3-2-8-19-12/h2-8H,9H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 272.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 803048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).