3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one

C12H8N2O2 — CID 10059017

IUPAC3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one
SMILESO=c1on2cccnc2c1-c1ccccc1
InChIInChI=1S/C12H8N2O2/c15-12-10(9-5-2-1-3-6-9)11-13-7-4-8-14(11)16-12/h1-8H
InChIKeyKHTSXVRFPWVGNE-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.95
Rot. Bonds1

About 3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one

3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one (PubChem CID 10059017) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one
PubChem CID10059017
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one
SMILESO=c1on2cccnc2c1-c1ccccc1
InChIInChI=1S/C12H8N2O2/c15-12-10(9-5-2-1-3-6-9)11-13-7-4-8-14(11)16-12/h1-8H
InChIKeyKHTSXVRFPWVGNE-UHFFFAOYSA-N
XLogP1.95
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one?
The IUPAC name of 3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one (CID 10059017) is 3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one.
What is the SMILES notation for 3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one?
The canonical SMILES for 3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one is O=c1on2cccnc2c1-c1ccccc1.
What is the InChIKey of 3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one?
The InChIKey is KHTSXVRFPWVGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-12-10(9-5-2-1-3-6-9)11-13-7-4-8-14(11)16-12/h1-8H.
What are the key properties of 3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one?
3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one has a molecular weight of 212.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1,2]oxazolo[2,3-a]pyrimidin-2-one is sourced from PubChem (CID 10059017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).