5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

C15H11ClN2OS — CID 27210901

IUPAC5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccc(SCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H11ClN2OS/c16-12-6-8-13(9-7-12)20-10-14-17-15(18-19-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyCZRWFPREWSNXME-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.68
Rot. Bonds4

About 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 27210901) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID27210901
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccc(SCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H11ClN2OS/c16-12-6-8-13(9-7-12)20-10-14-17-15(18-19-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyCZRWFPREWSNXME-UHFFFAOYSA-N
XLogP4.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-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

3-(4-tert-butylphenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 2726201
3-(4-bromophenyl)-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 895252
3-(4-chlorophenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 8535952
3-(4-chlorophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 8512032
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid
CID 29127086
5-(2-benzylsulfanylethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 8798150
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
5-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 5303871
5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine
CID 43301670
3-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 53277856
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18193539

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (CID 27210901) is 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is Clc1ccc(SCc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is CZRWFPREWSNXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-12-6-8-13(9-7-12)20-10-14-17-15(18-19-14)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 302.79 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 27210901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).