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

C19H15ClN4O3S — CID 8913938

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(SCc3nc(-c4ccccc4Cl)no3)o2)cc1
InChIInChI=1S/C19H15ClN4O3S/c1-2-25-13-9-7-12(8-10-13)18-22-23-19(26-18)28-11-16-21-17(24-27-16)14-5-3-4-6-15(14)20/h3-10H,2,11H2,1H3
InChIKeyZCCAZJOPJBOTTR-UHFFFAOYSA-N
MW414.87 g/mol
LogP5.13
Rot. Bonds7

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

2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 8913938) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
PubChem CID8913938
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(SCc3nc(-c4ccccc4Cl)no3)o2)cc1
InChIInChI=1S/C19H15ClN4O3S/c1-2-25-13-9-7-12(8-10-13)18-22-23-19(26-18)28-11-16-21-17(24-27-16)14-5-3-4-6-15(14)20/h3-10H,2,11H2,1H3
InChIKeyZCCAZJOPJBOTTR-UHFFFAOYSA-N
XLogP5.13
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.87
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-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)-5-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 31759028
2-(4-methylphenyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 8528974
2-(2-fluorophenyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 8522890
2-(2-chloro-4-pyridinyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290391
3-(2-nitrophenyl)-5-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 121290405
2-(4-chlorophenyl)-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 27920170
2-(3,5-dimethoxyphenyl)-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 46825324
5-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 4555507
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,3,4-oxadiazole
CID 39534012
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 8522043
3-(2-ethoxyphenyl)-5-[[4-(4-ethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 23605887
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 31407605

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole (CID 8913938) is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(SCc3nc(-c4ccccc4Cl)no3)o2)cc1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is ZCCAZJOPJBOTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c1-2-25-13-9-7-12(8-10-13)18-22-23-19(26-18)28-11-16-21-17(24-27-16)14-5-3-4-6-15(14)20/h3-10H,2,11H2,1H3.
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole?
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 414.87 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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-ethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 8913938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).