N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide

C12H11BrN2O2 — CID 43806378

IUPACN-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C12H11BrN2O2/c1-7-3-4-9(13)5-11(7)15-12(16)10-6-14-17-8(10)2/h3-6H,1-2H3,(H,15,16)
InChIKeyIJRCJTIJWQVUEU-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.31
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 43806378) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID43806378
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C12H11BrN2O2/c1-7-3-4-9(13)5-11(7)15-12(16)10-6-14-17-8(10)2/h3-6H,1-2H3,(H,15,16)
InChIKeyIJRCJTIJWQVUEU-UHFFFAOYSA-N
XLogP3.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 107798369
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 103274895
N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71393848
N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 116784693
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzamide
CID 61375909
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337253
N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64787357

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 43806378) is N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(Br)cc1NC(=O)c1cnoc1C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IJRCJTIJWQVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-3-4-9(13)5-11(7)15-12(16)10-6-14-17-8(10)2/h3-6H,1-2H3,(H,15,16).
What are the key properties of N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 43806378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).