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

C11H10BrN3O2 — CID 102674320

IUPACN-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(Br)ccn2)o1
InChIInChI=1S/C11H10BrN3O2/c1-6-10(17-7(2)14-6)11(16)15-9-5-8(12)3-4-13-9/h3-5H,1-2H3,(H,13,15,16)
InChIKeyORHWBEYNICWXDT-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.70
Rot. Bonds2

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

N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 102674320) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID102674320
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC NameN-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(Br)ccn2)o1
InChIInChI=1S/C11H10BrN3O2/c1-6-10(17-7(2)14-6)11(16)15-9-5-8(12)3-4-13-9/h3-5H,1-2H3,(H,13,15,16)
InChIKeyORHWBEYNICWXDT-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-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026213
N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 75393416
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113247217
N-(2-bromo-5-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113249343
N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82708535
N-(4-bromo-2-pyridinyl)-5-methylpyrazine-2-carboxamide
CID 102674370
N-(4-bromo-2-pyridinyl)furan-2-carboxamide
CID 102674239
6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628
2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide
CID 79194088
N-(4-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 107674194
N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82861939

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 102674320) is N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cc(Br)ccn2)o1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is ORHWBEYNICWXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-6-10(17-7(2)14-6)11(16)15-9-5-8(12)3-4-13-9/h3-5H,1-2H3,(H,13,15,16).
What are the key properties of N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(4-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-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 102674320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).