2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole

C13H16N2O2S — CID 71853110

IUPAC2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(C)cc1CSCc1nnc(C)o1
InChIInChI=1S/C13H16N2O2S/c1-9-4-5-12(16-3)11(6-9)7-18-8-13-15-14-10(2)17-13/h4-6H,7-8H2,1-3H3
InChIKeyIDQKFDBPALYHKE-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.13
Rot. Bonds5

About 2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole

2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 71853110) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID71853110
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(C)cc1CSCc1nnc(C)o1
InChIInChI=1S/C13H16N2O2S/c1-9-4-5-12(16-3)11(6-9)7-18-8-13-15-14-10(2)17-13/h4-6H,7-8H2,1-3H3
InChIKeyIDQKFDBPALYHKE-UHFFFAOYSA-N
XLogP3.13
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 8707879
(2-methoxy-5-methylphenyl)methyl-trimethylsilane
CID 141465677
3-[(2-methoxy-5-methylphenyl)methylsulfanyl]propane-1,2-diol
CID 79682242
2-(4-ethoxyphenyl)-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7644573
3-[(2-methoxy-5-methylphenyl)methylsulfanyl]propanoic acid
CID 43240949
3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 79822864
2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 63325788
1-[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]ethanone
CID 55021251
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 7629636
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-methylaniline
CID 79142232
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline
CID 43302415
2-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-oxadiazole
CID 91508978

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole (CID 71853110) is 2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole is COc1ccc(C)cc1CSCc1nnc(C)o1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is IDQKFDBPALYHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-4-5-12(16-3)11(6-9)7-18-8-13-15-14-10(2)17-13/h4-6H,7-8H2,1-3H3.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 264.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 71853110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).