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

C10H7BrClN3O2 — CID 102979254

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C10H7BrClN3O2/c1-5-8(17-4-14-5)10(16)15-7-2-6(11)3-13-9(7)12/h2-4H,1H3,(H,15,16)
InChIKeyPURKDPKOKILMPM-UHFFFAOYSA-N
MW316.54 g/mol
LogP3.05
Rot. Bonds2

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

N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 102979254) has the molecular formula C10H7BrClN3O2 and a molecular weight of 316.54 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID102979254
Molecular FormulaC10H7BrClN3O2
Molecular Weight316.54 g/mol
Exact Mass314.94
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C10H7BrClN3O2/c1-5-8(17-4-14-5)10(16)15-7-2-6(11)3-13-9(7)12/h2-4H,1H3,(H,15,16)
InChIKeyPURKDPKOKILMPM-UHFFFAOYSA-N
XLogP3.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
N-(5-bromo-2-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 102979124
N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979134
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 102979497
N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113330185
N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103278131
N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113438958
N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103819414
N-(5-bromo-2-chloro-3-pyridinyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114052084
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 102979388

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 102979254) is N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1cc(Br)cnc1Cl.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is PURKDPKOKILMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O2/c1-5-8(17-4-14-5)10(16)15-7-2-6(11)3-13-9(7)12/h2-4H,1H3,(H,15,16).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 316.54 g/mol, XLogP of 3.05, 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-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 102979254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).