5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole

C20H15ClN2O2S — CID 46329447

IUPAC5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccccc1CSCc1ccc(-c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C20H15ClN2O2S/c21-17-9-5-4-8-15(17)12-26-13-16-10-11-18(24-16)20-22-19(23-25-20)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyGIOJTLIBKADILK-UHFFFAOYSA-N
MW382.87 g/mol
LogP6.08
Rot. Bonds6

About 5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole

5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 46329447) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is 5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID46329447
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC Name5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccccc1CSCc1ccc(-c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C20H15ClN2O2S/c21-17-9-5-4-8-15(17)12-26-13-16-10-11-18(24-16)20-22-19(23-25-20)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyGIOJTLIBKADILK-UHFFFAOYSA-N
XLogP6.08
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole (CID 46329447) is 5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole is Clc1ccccc1CSCc1ccc(-c2nc(-c3ccccc3)no2)o1.
What is the InChIKey of 5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is GIOJTLIBKADILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c21-17-9-5-4-8-15(17)12-26-13-16-10-11-18(24-16)20-22-19(23-25-20)14-6-2-1-3-7-14/h1-11H,12-13H2.
What are the key properties of 5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 382.87 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 46329447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).