N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C13H14BrN3O2 — CID 116813489

IUPACN-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(N)c(NC(=O)c2oc(C)nc2C)c(Br)c1
InChIInChI=1S/C13H14BrN3O2/c1-6-4-9(14)11(10(15)5-6)17-13(18)12-7(2)16-8(3)19-12/h4-5H,15H2,1-3H3,(H,17,18)
InChIKeyDSWRZVRQMSGBPP-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.20
Rot. Bonds2

About N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 116813489) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID116813489
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(N)c(NC(=O)c2oc(C)nc2C)c(Br)c1
InChIInChI=1S/C13H14BrN3O2/c1-6-4-9(14)11(10(15)5-6)17-13(18)12-7(2)16-8(3)19-12/h4-5H,15H2,1-3H3,(H,17,18)
InChIKeyDSWRZVRQMSGBPP-UHFFFAOYSA-N
XLogP3.20
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82861939
N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide
CID 116813642
N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116813681
N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103874009
N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
CID 116813683
N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 116813556
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
N-(2-bromo-5-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113249343
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 116813696
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103824749
N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 116813489) is N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1cc(N)c(NC(=O)c2oc(C)nc2C)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is DSWRZVRQMSGBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-6-4-9(14)11(10(15)5-6)17-13(18)12-7(2)16-8(3)19-12/h4-5H,15H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 116813489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).