7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one

C13H11NO2 — CID 3050279

IUPAC7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one
SMILESO=c1cc(-c2ccccc2)cc2n1CCO2
InChIInChI=1S/C13H11NO2/c15-12-8-11(10-4-2-1-3-5-10)9-13-14(12)6-7-16-13/h1-5,8-9H,6-7H2
InChIKeyCBJLXLAGLBVWAD-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.91
Rot. Bonds1

About 7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one

7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one (PubChem CID 3050279) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one
PubChem CID3050279
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one
SMILESO=c1cc(-c2ccccc2)cc2n1CCO2
InChIInChI=1S/C13H11NO2/c15-12-8-11(10-4-2-1-3-5-10)9-13-14(12)6-7-16-13/h1-5,8-9H,6-7H2
InChIKeyCBJLXLAGLBVWAD-UHFFFAOYSA-N
XLogP1.91
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The IUPAC name of 7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one (CID 3050279) is 7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for 7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The canonical SMILES for 7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one is O=c1cc(-c2ccccc2)cc2n1CCO2.
What is the InChIKey of 7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The InChIKey is CBJLXLAGLBVWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-12-8-11(10-4-2-1-3-5-10)9-13-14(12)6-7-16-13/h1-5,8-9H,6-7H2.
What are the key properties of 7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one has a molecular weight of 213.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 3050279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).