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

C12H8BrN3O2 — CID 107798369

IUPACN-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C12H8BrN3O2/c1-7-10(6-15-18-7)12(17)16-11-4-9(13)3-2-8(11)5-14/h2-4,6H,1H3,(H,16,17)
InChIKeyHULYNESMEIOUTK-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.87
Rot. Bonds2

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

N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 107798369) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID107798369
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC NameN-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C12H8BrN3O2/c1-7-10(6-15-18-7)12(17)16-11-4-9(13)3-2-8(11)5-14/h2-4,6H,1H3,(H,16,17)
InChIKeyHULYNESMEIOUTK-UHFFFAOYSA-N
XLogP2.87
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 60710472
N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43806378
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
CID 104880187
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79504220
4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide
CID 107798157
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239
N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470730

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 107798369) is N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HULYNESMEIOUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c1-7-10(6-15-18-7)12(17)16-11-4-9(13)3-2-8(11)5-14/h2-4,6H,1H3,(H,16,17).
What are the key properties of N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 306.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 107798369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).