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

C11H11ClN2OS — CID 21215162

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(SCc2ccccc2Cl)o1
InChIInChI=1S/C11H11ClN2OS/c1-2-10-13-14-11(15-10)16-7-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
InChIKeyCHJHEHHMMLXTTP-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.58
Rot. Bonds4

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

2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 21215162) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID21215162
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(SCc2ccccc2Cl)o1
InChIInChI=1S/C11H11ClN2OS/c1-2-10-13-14-11(15-10)16-7-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
InChIKeyCHJHEHHMMLXTTP-UHFFFAOYSA-N
XLogP3.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.58
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
2-chlorobenzyl 5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl sulfide
CID 5854588
2-(5-((2-Chloro-6-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6603367
(S)-1-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6603429
5-(5-((2-Chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentan-1-amine hydrochloride
CID 6603621
2-[5-(2,6-Dichloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-ethylamine
CID 16682533
(S)-1-(5-((2,6-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 9551819
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-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 8903014
2-((2-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234038
2-((4-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234042

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole (CID 21215162) is 2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(SCc2ccccc2Cl)o1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is CHJHEHHMMLXTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-2-10-13-14-11(15-10)16-7-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole?
2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 254.74 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 21215162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).