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

C14H11BrN4O3S — CID 3928405

IUPACN-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)o2)no1
InChIInChI=1S/C14H11BrN4O3S/c1-8-5-11(19-22-8)13-17-18-14(21-13)23-7-12(20)16-10-4-2-3-9(15)6-10/h2-6H,7H2,1H3,(H,16,20)
InChIKeyUWBWTLVQOWHVBW-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.53
Rot. Bonds5

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

N-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3928405) has the molecular formula C14H11BrN4O3S and a molecular weight of 395.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3928405
Molecular FormulaC14H11BrN4O3S
Molecular Weight395.24 g/mol
Exact Mass393.97
IUPAC NameN-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)o2)no1
InChIInChI=1S/C14H11BrN4O3S/c1-8-5-11(19-22-8)13-17-18-14(21-13)23-7-12(20)16-10-4-2-3-9(15)6-10/h2-6H,7H2,1H3,(H,16,20)
InChIKeyUWBWTLVQOWHVBW-UHFFFAOYSA-N
XLogP3.53
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 4673882
2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 3898820
N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 6456775
N-(2,3-dimethylphenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3883461
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 4267462
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 7211382
2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 9484253
N-(3-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 645555
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-ethylphenyl)acetamide
CID 5026987
N-(3-bromophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92645281
N-(1,3-benzodioxol-5-yl)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 29428737
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 1311004

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3928405) is N-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)o2)no1.
What is the InChIKey of N-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is UWBWTLVQOWHVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O3S/c1-8-5-11(19-22-8)13-17-18-14(21-13)23-7-12(20)16-10-4-2-3-9(15)6-10/h2-6H,7H2,1H3,(H,16,20).
What are the key properties of N-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 395.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3928405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).