1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one

C5H3N3O2 — CID 45080226

IUPAC1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one
SMILESO=c1[nH]c2cncnc2o1
InChIInChI=1S/C5H3N3O2/c9-5-8-3-1-6-2-7-4(3)10-5/h1-2H,(H,8,9)
InChIKeyYHWYVGVUFSQPKS-UHFFFAOYSA-N
MW137.10 g/mol
LogP-0.09
Rot. Bonds

About 1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one

1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one (PubChem CID 45080226) has the molecular formula C5H3N3O2 and a molecular weight of 137.10 g/mol. Its IUPAC name is 1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one
PubChem CID45080226
Molecular FormulaC5H3N3O2
Molecular Weight137.10 g/mol
Exact Mass137.02
IUPAC Name1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one
SMILESO=c1[nH]c2cncnc2o1
InChIInChI=1S/C5H3N3O2/c9-5-8-3-1-6-2-7-4(3)10-5/h1-2H,(H,8,9)
InChIKeyYHWYVGVUFSQPKS-UHFFFAOYSA-N
XLogP-0.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one?
The IUPAC name of 1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one (CID 45080226) is 1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one.
What is the SMILES notation for 1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one?
The canonical SMILES for 1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one is O=c1[nH]c2cncnc2o1.
What is the InChIKey of 1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one?
The InChIKey is YHWYVGVUFSQPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2/c9-5-8-3-1-6-2-7-4(3)10-5/h1-2H,(H,8,9).
What are the key properties of 1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one?
1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one has a molecular weight of 137.10 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1,3]oxazolo[5,4-d]pyrimidin-2-one is sourced from PubChem (CID 45080226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).