N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C11H10BrN3O2 — CID 79026213

IUPACN-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(Br)cn2)o1
InChIInChI=1S/C11H10BrN3O2/c1-6-10(17-7(2)14-6)11(16)15-9-4-3-8(12)5-13-9/h3-5H,1-2H3,(H,13,15,16)
InChIKeyWFSIAYGOYPWYRR-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.70
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 79026213) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID79026213
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC NameN-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(Br)cn2)o1
InChIInChI=1S/C11H10BrN3O2/c1-6-10(17-7(2)14-6)11(16)15-9-4-3-8(12)5-13-9/h3-5H,1-2H3,(H,13,15,16)
InChIKeyWFSIAYGOYPWYRR-UHFFFAOYSA-N
XLogP2.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 102674320
2,4-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119494520
N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113247217
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(5-bromo-2-pyridinyl)-5-methylthiophene-3-carboxamide
CID 17218099
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82697347
N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82708535
N-(5-bromo-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238936
N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide
CID 129248687
N-(5-bromo-2-pyridinyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256857
2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide
CID 71920781

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 79026213) is N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(Br)cn2)o1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is WFSIAYGOYPWYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-6-10(17-7(2)14-6)11(16)15-9-4-3-8(12)5-13-9/h3-5H,1-2H3,(H,13,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 296.12 g/mol, XLogP of 2.70, 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-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79026213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).