2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole

C10H9ClN2OS — CID 21215199

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(SCc2ccc(Cl)cc2)o1
InChIInChI=1S/C10H9ClN2OS/c1-7-12-13-10(14-7)15-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyDXCYLZPBHOBXHY-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.32
Rot. Bonds3

About 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole

2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 21215199) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
PubChem CID21215199
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(SCc2ccc(Cl)cc2)o1
InChIInChI=1S/C10H9ClN2OS/c1-7-12-13-10(14-7)15-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKeyDXCYLZPBHOBXHY-UHFFFAOYSA-N
XLogP3.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-ethylamine
CID 16682348
4-chlorobenzyl 5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl sulfide
CID 5913783
2-Benzylsulfanyl-5-propan-2-yl-1,3,4-oxadiazole
CID 28564111
2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
CID 938131
2-((2-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234038
2-((4-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234042
2-((3-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 52142401
2-[(2,4-Dichlorobenzyl)sulfanyl]-5-methyl-1,3,4-oxadiazole
CID 1080103
2-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
CID 933178
2-Benzylsulfinyl-5-methyl-1,3,4-oxadiazole
CID 44324093
2-[(2,6-Dichlorophenyl)methylsulfonylmethyl]-5-methyl-1,3,4-oxadiazole
CID 71863496
2-[(4-Chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215133

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole (CID 21215199) is 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(SCc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is DXCYLZPBHOBXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-7-12-13-10(14-7)15-6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 240.72 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 21215199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).