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

C16H12BrN3O2S — CID 1112655

IUPACN-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O2S/c17-12-6-8-13(9-7-12)18-14(21)10-23-16-20-19-15(22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)
InChIKeyUCHJUCGRNABYDS-UHFFFAOYSA-N
MW390.26 g/mol
LogP4.23
Rot. Bonds5

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

N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 1112655) has the molecular formula C16H12BrN3O2S and a molecular weight of 390.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID1112655
Molecular FormulaC16H12BrN3O2S
Molecular Weight390.26 g/mol
Exact Mass388.98
IUPAC NameN-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O2S/c17-12-6-8-13(9-7-12)18-14(21)10-23-16-20-19-15(22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)
InChIKeyUCHJUCGRNABYDS-UHFFFAOYSA-N
XLogP4.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-Dimethyl-phenyl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 655365
2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio}-N-1-naphthylacetamide
CID 2191947
2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 2966728
N-(2-aminophenyl)-4-((5-phenyl-1,3,4-oxadiazol-2-ylthio)methyl)benzamide
CID 10201125
4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}quinolin-2(1H)-one
CID 712681
N-m-Tolyl-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 645555
N-(2,5-Dimethyl-phenyl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 647583
N-(2,3-Dimethyl-phenyl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 656184
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
N-(2-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 835162
N-(2-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 891159
4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1087659

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 1112655) is N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is UCHJUCGRNABYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2S/c17-12-6-8-13(9-7-12)18-14(21)10-23-16-20-19-15(22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21).
What are the key properties of N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 390.26 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1112655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).