2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole

C17H16N2O3S — CID 23660819

IUPAC2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(COc2ccc(SC)cc2)o1
InChIInChI=1S/C17H16N2O3S/c1-20-15-6-4-3-5-14(15)17-19-18-16(22-17)11-21-12-7-9-13(23-2)10-8-12/h3-10H,11H2,1-2H3
InChIKeyDYQZXLSIVWEVBD-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.05
Rot. Bonds6

About 2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole

2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 23660819) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID23660819
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(COc2ccc(SC)cc2)o1
InChIInChI=1S/C17H16N2O3S/c1-20-15-6-4-3-5-14(15)17-19-18-16(22-17)11-21-12-7-9-13(23-2)10-8-12/h3-10H,11H2,1-2H3
InChIKeyDYQZXLSIVWEVBD-UHFFFAOYSA-N
XLogP4.05
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
CID 23660996
2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
CID 23660822
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873
2-[2-(4-fluorophenoxy)ethylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 78765960
2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 7713933
2-(3,4-dimethoxyphenyl)-5-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 92645083
2-(2-methoxyphenyl)-5-[2-(4-propoxyphenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 78765739
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871
4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzonitrile
CID 110652725
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
CID 110652632
4-[2-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenoxy]aniline
CID 58929121
2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655896

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole (CID 23660819) is 2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole is COc1ccccc1-c1nnc(COc2ccc(SC)cc2)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is DYQZXLSIVWEVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-20-15-6-4-3-5-14(15)17-19-18-16(22-17)11-21-12-7-9-13(23-2)10-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 328.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 23660819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).