2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole

C18H13ClN4O2S — CID 53153712

IUPAC2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
SMILESCSc1ccc(-c2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1
InChIInChI=1S/C18H13ClN4O2S/c1-26-14-8-4-11(5-9-14)17-20-15(25-23-17)10-16-21-22-18(24-16)12-2-6-13(19)7-3-12/h2-9H,10H2,1H3
InChIKeyHPANEYZNVZQMPU-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.75
Rot. Bonds5

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

2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole (PubChem CID 53153712) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
PubChem CID53153712
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Name2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
SMILESCSc1ccc(-c2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1
InChIInChI=1S/C18H13ClN4O2S/c1-26-14-8-4-11(5-9-14)17-20-15(25-23-17)10-16-21-22-18(24-16)12-2-6-13(19)7-3-12/h2-9H,10H2,1H3
InChIKeyHPANEYZNVZQMPU-UHFFFAOYSA-N
XLogP4.75
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(3-methoxyphenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153650
2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153603
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153514
2-(3,4-dimethylphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153635
2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153727
2-(3-methylphenyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 53153559
2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153717
2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 53153690
2-(3,5-difluorophenyl)-5-[[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153729
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)propanamide
CID 9180330
2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
2-(3,4-dimethoxyphenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153580

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole (CID 53153712) is 2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole is CSc1ccc(-c2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is HPANEYZNVZQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c1-26-14-8-4-11(5-9-14)17-20-15(25-23-17)10-16-21-22-18(24-16)12-2-6-13(19)7-3-12/h2-9H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 384.85 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53153712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).