N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

C11H10BrN3O2 — CID 110677484

IUPACN-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(CC(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrN3O2/c1-7-13-11(17-15-7)6-10(16)14-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H,14,16)
InChIKeyJTNGEHCRAVSDRC-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.32
Rot. Bonds3

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

N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 110677484) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID110677484
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC NameN-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(CC(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrN3O2/c1-7-13-11(17-15-7)6-10(16)14-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H,14,16)
InChIKeyJTNGEHCRAVSDRC-UHFFFAOYSA-N
XLogP2.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677461
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid
CID 43351280
N-(3-bromophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99773154
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
2-(3-bromophenyl)sulfanyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 84593064
2-(4-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 46266992
N-(3-bromophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754735
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
CID 106417232

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (CID 110677484) is N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is Cc1noc(CC(=O)Nc2cccc(Br)c2)n1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is JTNGEHCRAVSDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-7-13-11(17-15-7)6-10(16)14-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H,14,16).
What are the key properties of N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 296.12 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 110677484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).