5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole

C13H10N2O2S — CID 99964209

IUPAC5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
SMILESCSc1ccc(-c2noc(-c3ccco3)n2)cc1
InChIInChI=1S/C13H10N2O2S/c1-18-10-6-4-9(5-7-10)12-14-13(17-15-12)11-3-2-8-16-11/h2-8H,1H3
InChIKeyAYEKGDWNZWFCCK-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.72
Rot. Bonds3

About 5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole

5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole (PubChem CID 99964209) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
PubChem CID99964209
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
SMILESCSc1ccc(-c2noc(-c3ccco3)n2)cc1
InChIInChI=1S/C13H10N2O2S/c1-18-10-6-4-9(5-7-10)12-14-13(17-15-12)11-3-2-8-16-11/h2-8H,1H3
InChIKeyAYEKGDWNZWFCCK-UHFFFAOYSA-N
XLogP3.72
TPSA52.06 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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790086
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 2989048
5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 100559933
5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 168525312
6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
CID 53139211
2-methyl-5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106850093
2-methyl-4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 106847232
2-methyl-6-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136673874
3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 3160321
3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11414183
5-(furan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 699740
4-methyl-3-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 106847320

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole (CID 99964209) is 5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole is CSc1ccc(-c2noc(-c3ccco3)n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
The InChIKey is AYEKGDWNZWFCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-18-10-6-4-9(5-7-10)12-14-13(17-15-12)11-3-2-8-16-11/h2-8H,1H3.
What are the key properties of 5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole has a molecular weight of 258.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 99964209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).