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

C11H11ClN2OS — CID 95336094

IUPAC2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc([C@H](C)Sc2cccc(Cl)c2)o1
InChIInChI=1S/C11H11ClN2OS/c1-7(11-14-13-8(2)15-11)16-10-5-3-4-9(12)6-10/h3-7H,1-2H3/t7-/m0/s1
InChIKeyBECFXOBTXDCXOR-ZETCQYMHSA-N
MW254.74 g/mol
LogP3.88
Rot. Bonds3

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

2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 95336094) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID95336094
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc([C@H](C)Sc2cccc(Cl)c2)o1
InChIInChI=1S/C11H11ClN2OS/c1-7(11-14-13-8(2)15-11)16-10-5-3-4-9(12)6-10/h3-7H,1-2H3/t7-/m0/s1
InChIKeyBECFXOBTXDCXOR-ZETCQYMHSA-N
XLogP3.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(((4-Chlorophenyl)sulfonyl)methyl)-5-(methylsulfonyl)-1,3,4-oxadiazole
CID 141519779
2-Ethyl-5-[(2-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 53521474
2-(((4-Chlorophenyl)thio)difluoromethyl)-5-methyl-1,3,4-oxadiazole
CID 97035669
2-Ethyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 133775713
2-[(3,4-Difluorophenyl)sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 133814333
2-Tert-butyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole
CID 58523513
2-[(3-Chlorophenyl)sulfonylmethyl]-5-methyl-1,3,4-oxadiazole
CID 67266727
2-Ethyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole
CID 68166219
2-Methyl-5-(phenylsulfanylmethyl)-1,3,4-oxadiazole
CID 89774543
2-[(4-Chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 137775044
Ethyl 2-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]acetate
CID 141463329
2-[(4-Chlorophenyl)sulfanylmethyl]-5-ethylsulfanyl-1,3,4-oxadiazole
CID 141463336

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole (CID 95336094) is 2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc([C@H](C)Sc2cccc(Cl)c2)o1.
What is the InChIKey of 2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is BECFXOBTXDCXOR-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7(11-14-13-8(2)15-11)16-10-5-3-4-9(12)6-10/h3-7H,1-2H3/t7-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole?
2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 254.74 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-chlorophenyl)sulfanylethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 95336094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).