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

C13H10N4O2 — CID 136812973

IUPAC3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one
SMILESNc1noc(-c2c[nH]ccc2=O)c1-c1ccncc1
InChIInChI=1S/C13H10N4O2/c14-13-11(8-1-4-15-5-2-8)12(19-17-13)9-7-16-6-3-10(9)18/h1-7H,(H2,14,17)(H,16,18)
InChIKeyNRPAWYPSAIKBGF-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.67
Rot. Bonds2

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

3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one (PubChem CID 136812973) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one
PubChem CID136812973
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one
SMILESNc1noc(-c2c[nH]ccc2=O)c1-c1ccncc1
InChIInChI=1S/C13H10N4O2/c14-13-11(8-1-4-15-5-2-8)12(19-17-13)9-7-16-6-3-10(9)18/h1-7H,(H2,14,17)(H,16,18)
InChIKeyNRPAWYPSAIKBGF-UHFFFAOYSA-N
XLogP1.67
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-amino-4-pyridin-2-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one
CID 136812969
5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one
CID 136812972
3-(3-amino-4-bromo-1,2-oxazol-5-yl)-1H-pyridin-4-one
CID 136812965
5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954873
5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525852
5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525756
5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525895
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 80525813
5-(4-bromo-2-methoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 115370350
5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954872
5-(3-bromo-5-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80524785

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one?
The IUPAC name of 3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one (CID 136812973) is 3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one?
The canonical SMILES for 3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one is Nc1noc(-c2c[nH]ccc2=O)c1-c1ccncc1.
What is the InChIKey of 3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one?
The InChIKey is NRPAWYPSAIKBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-13-11(8-1-4-15-5-2-8)12(19-17-13)9-7-16-6-3-10(9)18/h1-7H,(H2,14,17)(H,16,18).
What are the key properties of 3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one?
3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one has a molecular weight of 254.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-1H-pyridin-4-one is sourced from PubChem (CID 136812973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).