3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one

C8H6BrN3O2 — CID 136812965

IUPAC3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one
SMILESNc1noc(-c2c[nH]ccc2=O)c1Br
InChIInChI=1S/C8H6BrN3O2/c9-6-7(14-12-8(6)10)4-3-11-2-1-5(4)13/h1-3H,(H2,10,12)(H,11,13)
InChIKeyLPQJNWRGKTVEAD-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.37
Rot. Bonds1

About 3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one

3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one (PubChem CID 136812965) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one
PubChem CID136812965
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one
SMILESNc1noc(-c2c[nH]ccc2=O)c1Br
InChIInChI=1S/C8H6BrN3O2/c9-6-7(14-12-8(6)10)4-3-11-2-1-5(4)13/h1-3H,(H2,10,12)(H,11,13)
InChIKeyLPQJNWRGKTVEAD-UHFFFAOYSA-N
XLogP1.37
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one
CID 136812973
3-(3-amino-4-pyridin-2-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one
CID 136812969
3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one
CID 136812387
3-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
CID 136812652
4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 79555310
4-bromo-5-(4-nitrophenyl)-1,2-oxazol-3-amine
CID 79555607
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one
CID 136812972
4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine
CID 79556113
4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 79555953
4-bromo-5-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-3-amine
CID 79555618
4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 79555964

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one?
The IUPAC name of 3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one (CID 136812965) is 3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one?
The canonical SMILES for 3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one is Nc1noc(-c2c[nH]ccc2=O)c1Br.
What is the InChIKey of 3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one?
The InChIKey is LPQJNWRGKTVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-6-7(14-12-8(6)10)4-3-11-2-1-5(4)13/h1-3H,(H2,10,12)(H,11,13).
What are the key properties of 3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one?
3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one has a molecular weight of 256.06 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one is sourced from PubChem (CID 136812965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).