5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole

C15H16N4O4S2 — CID 71926417

IUPAC5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nnc(SCc3nc(CS(C)(=O)=O)no3)o2)cc1C
InChIInChI=1S/C15H16N4O4S2/c1-9-4-5-11(6-10(9)2)14-17-18-15(22-14)24-7-13-16-12(19-23-13)8-25(3,20)21/h4-6H,7-8H2,1-3H3
InChIKeyOBIILQRRVFOFRC-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.57
Rot. Bonds6

About 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole

5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 71926417) has the molecular formula C15H16N4O4S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID71926417
Molecular FormulaC15H16N4O4S2
Molecular Weight380.45 g/mol
Exact Mass380.06
IUPAC Name5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nnc(SCc3nc(CS(C)(=O)=O)no3)o2)cc1C
InChIInChI=1S/C15H16N4O4S2/c1-9-4-5-11(6-10(9)2)14-17-18-15(22-14)24-7-13-16-12(19-23-13)8-25(3,20)21/h4-6H,7-8H2,1-3H3
InChIKeyOBIILQRRVFOFRC-UHFFFAOYSA-N
XLogP2.57
TPSA111.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 16605178
N-(2,5-dimethylphenyl)-3-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 22587108
6-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 7631405
2-(4-methylphenyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 8528974
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 7805688
2-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 4823254
2-(4-bromophenyl)-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 30657321
2-(3,5-dimethoxyphenyl)-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 46825324
2-(3,5-dimethylphenyl)-5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 55553029
N-(2,4-dimethylphenyl)-3-[3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50809871
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-propan-2-ylphenyl)ethanone
CID 7805689
2-(1,3-benzodioxol-5-yl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 17394352

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole (CID 71926417) is 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole is Cc1ccc(-c2nnc(SCc3nc(CS(C)(=O)=O)no3)o2)cc1C.
What is the InChIKey of 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is OBIILQRRVFOFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S2/c1-9-4-5-11(6-10(9)2)14-17-18-15(22-14)24-7-13-16-12(19-23-13)8-25(3,20)21/h4-6H,7-8H2,1-3H3.
What are the key properties of 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 380.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71926417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).