1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one

C13H9NO2 — CID 13397710

IUPAC1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=c1oc(-c2ccccc2)c2ccccn12
InChIInChI=1S/C13H9NO2/c15-13-14-9-5-4-8-11(14)12(16-13)10-6-2-1-3-7-10/h1-9H
InChIKeyKTPSBQWSFRCVHJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.56
Rot. Bonds1

About 1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one

1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 13397710) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID13397710
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=c1oc(-c2ccccc2)c2ccccn12
InChIInChI=1S/C13H9NO2/c15-13-14-9-5-4-8-11(14)12(16-13)10-6-2-1-3-7-10/h1-9H
InChIKeyKTPSBQWSFRCVHJ-UHFFFAOYSA-N
XLogP2.56
TPSA34.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3,5-diphenyl-1,3-oxazol-2-one
CID 134935741
7-phenylbenzo[a]quinolizin-6-one
CID 132564756
1-phenylimidazo[1,5-a]pyridine-3-carbaldehyde
CID 112757352
5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione
CID 13219285
3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one
CID 164685094
4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
CID 164684853
2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid
CID 10447200
(4-oxo-1,3-diphenylquinolizin-2-yl) acetate
CID 110273347
1-methyl-4,5-diphenylpyrano[3,4-b]pyrrol-7-one
CID 42639188
1,3-dimethyl-2-phenylindolizine
CID 165358792
2-phenyl-1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]indolizine
CID 156552702
ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of 1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 13397710) is 1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for 1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for 1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one is O=c1oc(-c2ccccc2)c2ccccn12.
What is the InChIKey of 1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is KTPSBQWSFRCVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-13-14-9-5-4-8-11(14)12(16-13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one?
1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 211.22 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 13397710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).