5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

C20H17N3O2S — CID 50786069

IUPAC5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(CSCc2ccc(-c3nc(-c4cccnc4)no3)o2)cc1
InChIInChI=1S/C20H17N3O2S/c1-14-4-6-15(7-5-14)12-26-13-17-8-9-18(24-17)20-22-19(23-25-20)16-3-2-10-21-11-16/h2-11H,12-13H2,1H3
InChIKeyZGIITKHZNQZTGG-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.13
Rot. Bonds6

About 5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 50786069) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID50786069
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(CSCc2ccc(-c3nc(-c4cccnc4)no3)o2)cc1
InChIInChI=1S/C20H17N3O2S/c1-14-4-6-15(7-5-14)12-26-13-17-8-9-18(24-17)20-22-19(23-25-20)16-3-2-10-21-11-16/h2-11H,12-13H2,1H3
InChIKeyZGIITKHZNQZTGG-UHFFFAOYSA-N
XLogP5.13
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 46329447
N-[(4-fluorophenyl)methyl]-2-[[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methylsulfanyl]acetamide
CID 50785945
5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 35216489
5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46329456
3-(4-methylphenyl)-5-[5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
CID 53077147
2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 54924255
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849658
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 104742909
3-(3-ethoxyphenyl)-5-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
CID 45499683
5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 91819568
5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 59758751

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 50786069) is 5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1ccc(CSCc2ccc(-c3nc(-c4cccnc4)no3)o2)cc1.
What is the InChIKey of 5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is ZGIITKHZNQZTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-14-4-6-15(7-5-14)12-26-13-17-8-9-18(24-17)20-22-19(23-25-20)16-3-2-10-21-11-16/h2-11H,12-13H2,1H3.
What are the key properties of 5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 363.44 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 50786069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).