N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H13BrN2O2 — CID 110614176

IUPACN-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(Br)cc(NC(=O)Cc2cc(C)on2)c1
InChIInChI=1S/C13H13BrN2O2/c1-8-3-10(14)6-11(4-8)15-13(17)7-12-5-9(2)18-16-12/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyPXVDMKPYGRALPZ-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.24
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 110614176) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID110614176
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(Br)cc(NC(=O)Cc2cc(C)on2)c1
InChIInChI=1S/C13H13BrN2O2/c1-8-3-10(14)6-11(4-8)15-13(17)7-12-5-9(2)18-16-12/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyPXVDMKPYGRALPZ-UHFFFAOYSA-N
XLogP3.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110421673
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110417275
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
N-(3,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110428961
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 110425586
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110424986
methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 110424177
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
CID 110621001
(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid
CID 129401481
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110427091
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide
CID 124505289
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110608265

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 110614176) is N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(Br)cc(NC(=O)Cc2cc(C)on2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is PXVDMKPYGRALPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-3-10(14)6-11(4-8)15-13(17)7-12-5-9(2)18-16-12/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 309.16 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 110614176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).