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

C13H10N2O2S — CID 665971

IUPAC3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3cccs3)n2)c1
InChIInChI=1S/C13H10N2O2S/c1-16-10-5-2-4-9(8-10)12-14-13(17-15-12)11-6-3-7-18-11/h2-8H,1H3
InChIKeyNWPANAJPHRXMQR-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.47
Rot. Bonds3

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

3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 665971) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID665971
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3cccs3)n2)c1
InChIInChI=1S/C13H10N2O2S/c1-16-10-5-2-4-9(8-10)12-14-13(17-15-12)11-6-3-7-18-11/h2-8H,1H3
InChIKeyNWPANAJPHRXMQR-UHFFFAOYSA-N
XLogP3.47
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 665971) is 3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is COc1cccc(-c2noc(-c3cccs3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is NWPANAJPHRXMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-16-10-5-2-4-9(8-10)12-14-13(17-15-12)11-6-3-7-18-11/h2-8H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 258.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 665971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).