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

C14H12N2O3S — CID 4916161

IUPAC5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3cccs3)no2)c1
InChIInChI=1S/C14H12N2O3S/c1-17-10-6-9(7-11(8-10)18-2)14-15-13(16-19-14)12-4-3-5-20-12/h3-8H,1-2H3
InChIKeyKNDWWUFSFAEPFH-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.48
Rot. Bonds4

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

5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 4916161) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID4916161
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3cccs3)no2)c1
InChIInChI=1S/C14H12N2O3S/c1-17-10-6-9(7-11(8-10)18-2)14-15-13(16-19-14)12-4-3-5-20-12/h3-8H,1-2H3
InChIKeyKNDWWUFSFAEPFH-UHFFFAOYSA-N
XLogP3.48
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 155539552
5-(4-Methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
5-(3-Methoxyphenyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 718728
3-(3,4-Dimethoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 1221653
3-(2-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 1870209
5-(3,5-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 868065
3-(3-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 665971
5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 666381
5-(Thiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 666832
5-(3,4-Dimethoxybenzyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
CID 718697
3-(4-Methoxyphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 803048
5-(3-Methoxyphenyl)-3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazole
CID 3816067

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 4916161) is 5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole is COc1cc(OC)cc(-c2nc(-c3cccs3)no2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is KNDWWUFSFAEPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-17-10-6-9(7-11(8-10)18-2)14-15-13(16-19-14)12-4-3-5-20-12/h3-8H,1-2H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 288.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 4916161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).