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

C10H8BrN3O2 — CID 103819414

IUPACN-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C10H8BrN3O2/c1-6-8(16-5-13-6)10(15)14-7-3-2-4-12-9(7)11/h2-5H,1H3,(H,14,15)
InChIKeyPWEQAQNLQLCZPA-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.39
Rot. Bonds2

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

N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 103819414) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID103819414
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC NameN-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C10H8BrN3O2/c1-6-8(16-5-13-6)10(15)14-7-3-2-4-12-9(7)11/h2-5H,1H3,(H,14,15)
InChIKeyPWEQAQNLQLCZPA-UHFFFAOYSA-N
XLogP2.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.39
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

4-methyl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
CID 110686212
N-(4-bromo-2,5-difluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113330185
N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79487939
N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 102979254
N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 103819469
N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103278131
3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
CID 103819269
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103097724
N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
CID 103819167
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
CID 103819240
3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide
CID 114051406

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 103819414) is N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is PWEQAQNLQLCZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-6-8(16-5-13-6)10(15)14-7-3-2-4-12-9(7)11/h2-5H,1H3,(H,14,15).
What are the key properties of N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 282.10 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 103819414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).