N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C13H14BrN3O2 — CID 86917572

IUPACN-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H14BrN3O2/c1-8-7-10(3-4-11(8)14)16-12(18)5-6-13-15-9(2)17-19-13/h3-4,7H,5-6H2,1-2H3,(H,16,18)
InChIKeyQJVPDXCWSIYOQY-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.02
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 86917572) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID86917572
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H14BrN3O2/c1-8-7-10(3-4-11(8)14)16-12(18)5-6-13-15-9(2)17-19-13/h3-4,7H,5-6H2,1-2H3,(H,16,18)
InChIKeyQJVPDXCWSIYOQY-UHFFFAOYSA-N
XLogP3.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 47180626
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CID 86917576
N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55924078
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoic acid
CID 43351280
3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(4-bromo-3-methylphenyl)propanamide
CID 50810405
N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042249
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
N-(2-fluoro-4-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917581
N-(3-bromophenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677484
N-(3-bromo-4-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333672
N-(4-bromo-3-methylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 86917572) is N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)Nc2ccc(Br)c(C)c2)n1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is QJVPDXCWSIYOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8-7-10(3-4-11(8)14)16-12(18)5-6-13-15-9(2)17-19-13/h3-4,7H,5-6H2,1-2H3,(H,16,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 324.18 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 86917572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).