2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole

C22H19N3O2S — CID 47083709

IUPAC2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1cc(C)cc(-c2nnc(SCc3ccccc3Oc3cccnc3)o2)c1
InChIInChI=1S/C22H19N3O2S/c1-15-10-16(2)12-18(11-15)21-24-25-22(27-21)28-14-17-6-3-4-8-20(17)26-19-7-5-9-23-13-19/h3-13H,14H2,1-2H3
InChIKeyMKHQJCIVMPWGGS-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.83
Rot. Bonds6

About 2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole

2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 47083709) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID47083709
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1cc(C)cc(-c2nnc(SCc3ccccc3Oc3cccnc3)o2)c1
InChIInChI=1S/C22H19N3O2S/c1-15-10-16(2)12-18(11-15)21-24-25-22(27-21)28-14-17-6-3-4-8-20(17)26-19-7-5-9-23-13-19/h3-13H,14H2,1-2H3
InChIKeyMKHQJCIVMPWGGS-UHFFFAOYSA-N
XLogP5.83
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dimethylphenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 653798
2-(3,5-dimethylphenyl)-5-(2-phenoxyethylsulfanyl)-1,3,4-oxadiazole
CID 60545180
2-(3,5-dimethylphenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859602
2-(3-methylphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 861640
2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 4794491
2-(3,5-dimethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 4822853
2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054875
2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 7683141
2-[4-(difluoromethoxy)phenyl]-5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 78835041
2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 17458845
2-(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 7816260
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 7861348

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 47083709) is 2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole is Cc1cc(C)cc(-c2nnc(SCc3ccccc3Oc3cccnc3)o2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is MKHQJCIVMPWGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15-10-16(2)12-18(11-15)21-24-25-22(27-21)28-14-17-6-3-4-8-20(17)26-19-7-5-9-23-13-19/h3-13H,14H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 389.48 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 47083709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).