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

C17H14BrN3O3 — CID 99818074

IUPACN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(Br)cn(C)c3=O)on2)cc1
InChIInChI=1S/C17H14BrN3O3/c1-10-3-5-11(6-4-10)13-8-15(24-20-13)16(22)19-14-7-12(18)9-21(2)17(14)23/h3-9H,1-2H3,(H,19,22)
InChIKeyAYSFHGNZUQSLDD-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.36
Rot. Bonds3

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

N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 99818074) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID99818074
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(Br)cn(C)c3=O)on2)cc1
InChIInChI=1S/C17H14BrN3O3/c1-10-3-5-11(6-4-10)13-8-15(24-20-13)16(22)19-14-7-12(18)9-21(2)17(14)23/h3-9H,1-2H3,(H,19,22)
InChIKeyAYSFHGNZUQSLDD-UHFFFAOYSA-N
XLogP3.36
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 99818074) is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(Br)cn(C)c3=O)on2)cc1.
What is the InChIKey of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is AYSFHGNZUQSLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-10-3-5-11(6-4-10)13-8-15(24-20-13)16(22)19-14-7-12(18)9-21(2)17(14)23/h3-9H,1-2H3,(H,19,22).
What are the key properties of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 388.22 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 99818074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).