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

C13H10N2O2S — CID 718725

IUPAC5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C13H10N2O2S/c1-16-10-6-4-9(5-7-10)13-14-12(15-17-13)11-3-2-8-18-11/h2-8H,1H3
InChIKeyCSDXZWZBEXVREQ-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.47
Rot. Bonds3

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

5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 718725) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID718725
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C13H10N2O2S/c1-16-10-6-4-9(5-7-10)13-14-12(15-17-13)11-3-2-8-18-11/h2-8H,1H3
InChIKeyCSDXZWZBEXVREQ-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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Related Compounds

N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698799
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33298119
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161
3-[4-(4-fluorophenoxy)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53103359
2-amino-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137004902
2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 60837408
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 3835386
5-(6-ethylsulfanyl-3-pyridinyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 167949067
5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95904221
3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 10352930

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 718725) is 5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is CSDXZWZBEXVREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-16-10-6-4-9(5-7-10)13-14-12(15-17-13)11-3-2-8-18-11/h2-8H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(4-methoxyphenyl)-3-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 5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 718725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).