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

C16H12BrN3O3S — CID 1125194

IUPACN-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccccc1Br
InChIInChI=1S/C16H12BrN3O3S/c17-12-3-1-2-4-13(12)18-14(22)9-24-16-20-19-15(23-16)10-5-7-11(21)8-6-10/h1-8,21H,9H2,(H,18,22)
InChIKeyPXQPAHJRAAHDFN-UHFFFAOYSA-N
MW406.26 g/mol
LogP3.94
Rot. Bonds5

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

N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1125194) has the molecular formula C16H12BrN3O3S and a molecular weight of 406.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1125194
Molecular FormulaC16H12BrN3O3S
Molecular Weight406.26 g/mol
Exact Mass404.98
IUPAC NameN-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccccc1Br
InChIInChI=1S/C16H12BrN3O3S/c17-12-3-1-2-4-13(12)18-14(22)9-24-16-20-19-15(23-16)10-5-7-11(21)8-6-10/h1-8,21H,9H2,(H,18,22)
InChIKeyPXQPAHJRAAHDFN-UHFFFAOYSA-N
XLogP3.94
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-phenyl-acetamide
CID 855986
N-(3-Hydroxy-phenyl)-2-[5-(4-hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 135693227
2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-naphthalen-1-yl-propionamide
CID 652022
N-(4-bromophenyl)-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 1112655
3-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-methoxyphenyl)propanamide
CID 1940495
N-(5-fluoro-2-methylphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2188688
2-[5-(4-hydroxyphenyl)(1,3,4-oxadiazol-2-ylthio)]-N-(4-methylphenyl)propanamid e
CID 3165931
N-(4-bromophenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3274316
2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-sulfamoyl-phenyl)-acetamide
CID 135693224
2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide
CID 856387
3-[[2-[[5-(4-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4-methylbenzoic acid
CID 136224177
2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1131966

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1125194) is N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PXQPAHJRAAHDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3S/c17-12-3-1-2-4-13(12)18-14(22)9-24-16-20-19-15(23-16)10-5-7-11(21)8-6-10/h1-8,21H,9H2,(H,18,22).
What are the key properties of N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 406.26 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1125194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).