2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide

C15H9Br2ClN4O2S — CID 4291947

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C15H9Br2ClN4O2S/c16-8-5-10(17)13(19-6-8)20-12(23)7-25-15-22-21-14(24-15)9-3-1-2-4-11(9)18/h1-6H,7H2,(H,19,20,23)
InChIKeyKYFBCTBPVIWESZ-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.04
Rot. Bonds5

About 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide (PubChem CID 4291947) has the molecular formula C15H9Br2ClN4O2S and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide
PubChem CID4291947
Molecular FormulaC15H9Br2ClN4O2S
Molecular Weight504.59 g/mol
Exact Mass501.85
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C15H9Br2ClN4O2S/c16-8-5-10(17)13(19-6-8)20-12(23)7-25-15-22-21-14(24-15)9-3-1-2-4-11(9)18/h1-6H,7H2,(H,19,20,23)
InChIKeyKYFBCTBPVIWESZ-UHFFFAOYSA-N
XLogP5.04
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3303190
N-(3,5-dibromo-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3522740
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 1114537
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-difluorophenyl)acetamide
CID 78824827
N-(4-chloro-2-fluorophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9211542
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4562852
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1301341
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide
CID 1118802
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 3133373
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 5133430
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 78846287
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 9165636

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide (CID 4291947) is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide is O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ncc(Br)cc1Br.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide?
The InChIKey is KYFBCTBPVIWESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2ClN4O2S/c16-8-5-10(17)13(19-6-8)20-12(23)7-25-15-22-21-14(24-15)9-3-1-2-4-11(9)18/h1-6H,7H2,(H,19,20,23).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide?
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide has a molecular weight of 504.59 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide is sourced from PubChem (CID 4291947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).