2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide

C16H10BrCl2N3O2S — CID 3133373

IUPAC2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10BrCl2N3O2S/c17-11-4-2-1-3-10(11)15-21-22-16(24-15)25-8-14(23)20-13-7-9(18)5-6-12(13)19/h1-7H,8H2,(H,20,23)
InChIKeyGLWTZVPJKHOGCH-UHFFFAOYSA-N
MW459.15 g/mol
LogP5.54
Rot. Bonds5

About 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 3133373) has the molecular formula C16H10BrCl2N3O2S and a molecular weight of 459.15 g/mol. Its IUPAC name is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
PubChem CID3133373
Molecular FormulaC16H10BrCl2N3O2S
Molecular Weight459.15 g/mol
Exact Mass456.91
IUPAC Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10BrCl2N3O2S/c17-11-4-2-1-3-10(11)15-21-22-16(24-15)25-8-14(23)20-13-7-9(18)5-6-12(13)19/h1-7H,8H2,(H,20,23)
InChIKeyGLWTZVPJKHOGCH-UHFFFAOYSA-N
XLogP5.54
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.15
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 1114537
N-(4-chloro-2-fluorophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9211542
N-(5-chloro-2-cyanophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78769428
N-(2,5-dichlorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5033341
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3880301
N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1490137
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 3882917
N-(5-chloro-2-hydroxyphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3907063
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4562852
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5168533
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5029573
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 55765016

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide (CID 3133373) is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide is O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is GLWTZVPJKHOGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2N3O2S/c17-11-4-2-1-3-10(11)15-21-22-16(24-15)25-8-14(23)20-13-7-9(18)5-6-12(13)19/h1-7H,8H2,(H,20,23).
What are the key properties of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 459.15 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 3133373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).