2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole

C20H14Cl2N2OS — CID 3119544

IUPAC2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1ccc2ccccc2c1CSc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H14Cl2N2OS/c1-12-6-7-13-4-2-3-5-15(13)17(12)11-26-20-24-23-19(25-20)16-9-8-14(21)10-18(16)22/h2-10H,11H2,1H3
InChIKeyLPDOQMUTGUAZOI-UHFFFAOYSA-N
MW401.32 g/mol
LogP6.80
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole

2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 3119544) has the molecular formula C20H14Cl2N2OS and a molecular weight of 401.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID3119544
Molecular FormulaC20H14Cl2N2OS
Molecular Weight401.32 g/mol
Exact Mass400.02
IUPAC Name2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1ccc2ccccc2c1CSc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H14Cl2N2OS/c1-12-6-7-13-4-2-3-5-15(13)17(12)11-26-20-24-23-19(25-20)16-9-8-14(21)10-18(16)22/h2-10H,11H2,1H3
InChIKeyLPDOQMUTGUAZOI-UHFFFAOYSA-N
XLogP6.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.32
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 562598
2-(2,4-dichlorophenyl)-5-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 92644913
2-(2,4-dichlorophenyl)-5-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 60583316
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 4254101
2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 141232311
2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole
CID 4662305
benzyl 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 1102828
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 2795754
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 9067334
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 6456829
2-(2-bromophenyl)-5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 3960712
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135588019

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 3119544) is 2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole is Cc1ccc2ccccc2c1CSc1nnc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is LPDOQMUTGUAZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2OS/c1-12-6-7-13-4-2-3-5-15(13)17(12)11-26-20-24-23-19(25-20)16-9-8-14(21)10-18(16)22/h2-10H,11H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 401.32 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 3119544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).