N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C15H13BrFN5O2S — CID 19586424

IUPACN-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccn(Cc2nnc(SCC(=O)Nc3ccc(Br)cc3F)o2)n1
InChIInChI=1S/C15H13BrFN5O2S/c1-9-4-5-22(21-9)7-14-19-20-15(24-14)25-8-13(23)18-12-3-2-10(16)6-11(12)17/h2-6H,7-8H2,1H3,(H,18,23)
InChIKeyFAZNPHLKNKGLKM-UHFFFAOYSA-N
MW426.27 g/mol
LogP3.26
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 19586424) has the molecular formula C15H13BrFN5O2S and a molecular weight of 426.27 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID19586424
Molecular FormulaC15H13BrFN5O2S
Molecular Weight426.27 g/mol
Exact Mass425.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccn(Cc2nnc(SCC(=O)Nc3ccc(Br)cc3F)o2)n1
InChIInChI=1S/C15H13BrFN5O2S/c1-9-4-5-22(21-9)7-14-19-20-15(24-14)25-8-13(23)18-12-3-2-10(16)6-11(12)17/h2-6H,7-8H2,1H3,(H,18,23)
InChIKeyFAZNPHLKNKGLKM-UHFFFAOYSA-N
XLogP3.26
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 134010551
N-(2,4-difluorophenyl)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3917964
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
CID 7977899
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
CID 18272078
N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3895144
N-(4-bromo-2-fluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 50773663
N-(4-bromo-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2351076
N-(4-bromo-2-fluorophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2197190
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16541604
N-(4-bromophenyl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1207136
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide
CID 1147417
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 3888191

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 19586424) is N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccn(Cc2nnc(SCC(=O)Nc3ccc(Br)cc3F)o2)n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is FAZNPHLKNKGLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN5O2S/c1-9-4-5-22(21-9)7-14-19-20-15(24-14)25-8-13(23)18-12-3-2-10(16)6-11(12)17/h2-6H,7-8H2,1H3,(H,18,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 426.27 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 19586424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).