2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

C17H16N2O2S — CID 7683141

IUPAC2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1ccccc1CSc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C17H16N2O2S/c1-12-7-3-5-9-14(12)16-18-19-17(21-16)22-11-13-8-4-6-10-15(13)20-2/h3-10H,11H2,1-2H3
InChIKeyXMKNBTLIJORSRG-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.35
Rot. Bonds5

About 2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (PubChem CID 7683141) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
PubChem CID7683141
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1ccccc1CSc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C17H16N2O2S/c1-12-7-3-5-9-14(12)16-18-19-17(21-16)22-11-13-8-4-6-10-15(13)20-2/h3-10H,11H2,1-2H3
InChIKeyXMKNBTLIJORSRG-UHFFFAOYSA-N
XLogP4.35
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 34720386
2-(3,5-dimethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 4822853
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 7861348
2-methoxy-N-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7683029
2-[(6-fluoroquinolin-8-yl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 38833062
2-(2-methylphenyl)-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
CID 84603555
2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 19060529
2-(2-methoxyphenyl)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 112787266
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 112777777
2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 38871783
2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 4794491
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 9484090

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (CID 7683141) is 2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is COc1ccccc1CSc1nnc(-c2ccccc2C)o1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is XMKNBTLIJORSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-7-3-5-9-14(12)16-18-19-17(21-16)22-11-13-8-4-6-10-15(13)20-2/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 312.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 7683141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).