2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole

C15H10Cl2N2OS — CID 1484130

IUPAC2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole
SMILESCSc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H10Cl2N2OS/c1-21-13-5-3-2-4-10(13)15-19-18-14(20-15)9-6-7-11(16)12(17)8-9/h2-8H,1H3
InChIKeyRSMUEVVDWZBOAM-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.43
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole

2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole (PubChem CID 1484130) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole
PubChem CID1484130
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole
SMILESCSc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H10Cl2N2OS/c1-21-13-5-3-2-4-10(13)15-19-18-14(20-15)9-6-7-11(16)12(17)8-9/h2-8H,1H3
InChIKeyRSMUEVVDWZBOAM-UHFFFAOYSA-N
XLogP5.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole (CID 1484130) is 2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole is CSc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole?
The InChIKey is RSMUEVVDWZBOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c1-21-13-5-3-2-4-10(13)15-19-18-14(20-15)9-6-7-11(16)12(17)8-9/h2-8H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole?
2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole has a molecular weight of 337.23 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-(2-methylsulfanylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 1484130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).