2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole

C19H20N2O4S — CID 4794491

IUPAC2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCCOc1ccccc1CSc1nnc(-c2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C19H20N2O4S/c1-4-24-17-8-6-5-7-13(17)12-26-19-21-20-18(25-19)14-9-15(22-2)11-16(10-14)23-3/h5-11H,4,12H2,1-3H3
InChIKeyNYSWGEQYLLFRKN-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.44
Rot. Bonds8

About 2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole

2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 4794491) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID4794491
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCCOc1ccccc1CSc1nnc(-c2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C19H20N2O4S/c1-4-24-17-8-6-5-7-13(17)12-26-19-21-20-18(25-19)14-9-15(22-2)11-16(10-14)23-3/h5-11H,4,12H2,1-3H3
InChIKeyNYSWGEQYLLFRKN-UHFFFAOYSA-N
XLogP4.44
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 4822853
1-[3-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 4823848
2-(3,5-dimethoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7683400
2-(3,5-dimethoxyphenyl)-5-[3-(2-methylphenoxy)propylsulfanyl]-1,3,4-oxadiazole
CID 60593848
2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 17458845
2-(3,5-dimethoxyphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7683396
2-(4-ethoxyphenyl)-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7644573
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 42443436
2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 7683141
2-(3,5-dimethylphenyl)-5-[(2-pyridin-3-yloxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 47083709
2-(3,5-dimethoxyphenyl)-5-[(2-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 46457917
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-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 4794491) is 2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole is CCOc1ccccc1CSc1nnc(-c2cc(OC)cc(OC)c2)o1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is NYSWGEQYLLFRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-4-24-17-8-6-5-7-13(17)12-26-19-21-20-18(25-19)14-9-15(22-2)11-16(10-14)23-3/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 372.45 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 4794491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).