N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide

C14H16BrN3O2 — CID 109042249

IUPACN-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)Nc2ccc(Br)c(C)c2)no1
InChIInChI=1S/C14H16BrN3O2/c1-9-7-11(3-4-12(9)15)17-14(19)5-6-16-13-8-10(2)20-18-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNURUOESVYMITOL-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.49
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide

N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide (PubChem CID 109042249) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
PubChem CID109042249
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)Nc2ccc(Br)c(C)c2)no1
InChIInChI=1S/C14H16BrN3O2/c1-9-7-11(3-4-12(9)15)17-14(19)5-6-16-13-8-10(2)20-18-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNURUOESVYMITOL-UHFFFAOYSA-N
XLogP3.49
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633
N-(4-acetylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109041036
N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109038794
methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]benzoate
CID 109041512
N-(2,6-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109035848
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
N-(4-bromo-3-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917572
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035823
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
3-(4-bromo-3-methylanilino)-N-(4-cyanophenyl)propanamide
CID 109042257

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide (CID 109042249) is N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide is Cc1cc(NCCC(=O)Nc2ccc(Br)c(C)c2)no1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
The InChIKey is NURUOESVYMITOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-9-7-11(3-4-12(9)15)17-14(19)5-6-16-13-8-10(2)20-18-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide?
N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide has a molecular weight of 338.21 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide is sourced from PubChem (CID 109042249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).