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

C12H10Cl2N2OS — CID 153350066

IUPAC2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(SC3CCC3)o2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-7-4-5-9(10(14)6-7)11-15-16-12(17-11)18-8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyOMAKQROMTJDXNQ-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.69
Rot. Bonds3

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

2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (PubChem CID 153350066) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
PubChem CID153350066
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(SC3CCC3)o2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-7-4-5-9(10(14)6-7)11-15-16-12(17-11)18-8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyOMAKQROMTJDXNQ-UHFFFAOYSA-N
XLogP4.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclobutane-1-carboxylate
CID 158707027
2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 141232311
2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 562598
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 6456829
3-[[5-[5-(2-chloro-4-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclobutane-1-carboxylic acid
CID 155323788
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 45134896
(2S)-2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 9484267
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 4254101
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 47523586
2-(2,4-dichlorophenyl)-5-[6-(3-methyl-2H-imidazol-1-yl)hexylsulfanyl]-1,3,4-oxadiazole
CID 175744348
N-cyclohexyl-2-[[(1R)-1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]-N-methylacetamide
CID 97021654
2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 3119544

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (CID 153350066) is 2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(SC3CCC3)o2)c(Cl)c1.
What is the InChIKey of 2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The InChIKey is OMAKQROMTJDXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-7-4-5-9(10(14)6-7)11-15-16-12(17-11)18-8-2-1-3-8/h4-6,8H,1-3H2.
What are the key properties of 2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole has a molecular weight of 301.20 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 153350066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).