N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

C12H11BrN2O2 — CID 17173642

IUPACN-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)on2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2/c1-7-3-4-10(9(13)5-7)14-12(16)11-6-8(2)17-15-11/h3-6H,1-2H3,(H,14,16)
InChIKeyFXAHBVQJWHRLNB-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.31
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 17173642) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID17173642
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)on2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2/c1-7-3-4-10(9(13)5-7)14-12(16)11-6-8(2)17-15-11/h3-6H,1-2H3,(H,14,16)
InChIKeyFXAHBVQJWHRLNB-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-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270430
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113330182
N-(4-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62239067
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 55159058
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79766728
methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3240614
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 17173642) is N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(C)on2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FXAHBVQJWHRLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-3-4-10(9(13)5-7)14-12(16)11-6-8(2)17-15-11/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-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-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17173642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).