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

C16H13BrN4O2S — CID 2225018

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Br)cn1
InChIInChI=1S/C16H13BrN4O2S/c17-12-6-7-13(18-9-12)19-14(22)10-24-16-21-20-15(23-16)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,18,19,22)
InChIKeyQUCLKTJKSXUTRY-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.55
Rot. Bonds6

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

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide (PubChem CID 2225018) has the molecular formula C16H13BrN4O2S and a molecular weight of 405.28 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide
PubChem CID2225018
Molecular FormulaC16H13BrN4O2S
Molecular Weight405.28 g/mol
Exact Mass403.99
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Br)cn1
InChIInChI=1S/C16H13BrN4O2S/c17-12-6-7-13(18-9-12)19-14(22)10-24-16-21-20-15(23-16)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,18,19,22)
InChIKeyQUCLKTJKSXUTRY-UHFFFAOYSA-N
XLogP3.55
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-Amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-bromophenyl)ethanone
CID 60168023
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide
CID 838551
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 934123
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide
CID 172459629
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide
CID 172460173
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide
CID 172468166
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide
CID 172469484
2-{[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
CID 851346
2-((5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl) thio)-N-(pyridin-2-yl) acetamide
CID 162787800
2-((5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl) thio)-N-(pyridin-2-yl) acetamide
CID 162787803
2-((5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl) thio)-N-(pyridin-2-yl) acetamide
CID 162787809
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
CID 3933107

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide (CID 2225018) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide is O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide?
The InChIKey is QUCLKTJKSXUTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2S/c17-12-6-7-13(18-9-12)19-14(22)10-24-16-21-20-15(23-16)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,18,19,22).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide has a molecular weight of 405.28 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 2225018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).