2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

C17H10ClFN4O2S — CID 24521136

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(SCc3nc(-c4ccccc4Cl)no3)o2)cc1
InChIInChI=1S/C17H10ClFN4O2S/c18-13-4-2-1-3-12(13)15-20-14(25-23-15)9-26-17-22-21-16(24-17)10-5-7-11(19)8-6-10/h1-8H,9H2
InChIKeyNEYUASLNRPDKDT-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.87
Rot. Bonds5

About 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 24521136) has the molecular formula C17H10ClFN4O2S and a molecular weight of 388.81 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID24521136
Molecular FormulaC17H10ClFN4O2S
Molecular Weight388.81 g/mol
Exact Mass388.02
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(SCc3nc(-c4ccccc4Cl)no3)o2)cc1
InChIInChI=1S/C17H10ClFN4O2S/c18-13-4-2-1-3-12(13)15-20-14(25-23-15)9-26-17-22-21-16(24-17)10-5-7-11(19)8-6-10/h1-8H,9H2
InChIKeyNEYUASLNRPDKDT-UHFFFAOYSA-N
XLogP4.87
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 24521136) is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(SCc3nc(-c4ccccc4Cl)no3)o2)cc1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is NEYUASLNRPDKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4O2S/c18-13-4-2-1-3-12(13)15-20-14(25-23-15)9-26-17-22-21-16(24-17)10-5-7-11(19)8-6-10/h1-8H,9H2.
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 388.81 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 24521136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).