[1,3]oxazolo[3,2-a]pyrimidin-5-one

C6H4N2O2 — CID 18918885

IUPAC[1,3]oxazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2occn12
InChIInChI=1S/C6H4N2O2/c9-5-1-2-7-6-8(5)3-4-10-6/h1-4H
InChIKeyHCAGIUTYXULHJT-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.29
Rot. Bonds

About [1,3]oxazolo[3,2-a]pyrimidin-5-one

[1,3]oxazolo[3,2-a]pyrimidin-5-one (PubChem CID 18918885) has the molecular formula C6H4N2O2 and a molecular weight of 136.11 g/mol. Its IUPAC name is [1,3]oxazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name[1,3]oxazolo[3,2-a]pyrimidin-5-one
PubChem CID18918885
Molecular FormulaC6H4N2O2
Molecular Weight136.11 g/mol
Exact Mass136.03
IUPAC Name[1,3]oxazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2occn12
InChIInChI=1S/C6H4N2O2/c9-5-1-2-7-6-8(5)3-4-10-6/h1-4H
InChIKeyHCAGIUTYXULHJT-UHFFFAOYSA-N
XLogP0.29
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,3]oxazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of [1,3]oxazolo[3,2-a]pyrimidin-5-one (CID 18918885) is [1,3]oxazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for [1,3]oxazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for [1,3]oxazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2occn12.
What is the InChIKey of [1,3]oxazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HCAGIUTYXULHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2/c9-5-1-2-7-6-8(5)3-4-10-6/h1-4H.
What are the key properties of [1,3]oxazolo[3,2-a]pyrimidin-5-one?
[1,3]oxazolo[3,2-a]pyrimidin-5-one has a molecular weight of 136.11 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]oxazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18918885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).