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

C7H7N3O2 — CID 122697153

IUPAC5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one
SMILESCCc1ncc2oc(=O)[nH]c2n1
InChIInChI=1S/C7H7N3O2/c1-2-5-8-3-4-6(9-5)10-7(11)12-4/h3H,2H2,1H3,(H,8,9,10,11)
InChIKeySUYSOVGVHVUOQG-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.47
Rot. Bonds1

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

5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one (PubChem CID 122697153) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one
PubChem CID122697153
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one
SMILESCCc1ncc2oc(=O)[nH]c2n1
InChIInChI=1S/C7H7N3O2/c1-2-5-8-3-4-6(9-5)10-7(11)12-4/h3H,2H2,1H3,(H,8,9,10,11)
InChIKeySUYSOVGVHVUOQG-UHFFFAOYSA-N
XLogP0.47
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 122697190
5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 71710986
5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 84653939
6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 118654391
CID 67884406
CID 67884406
3H-[1,3]oxazolo[4,5-d]pyrimidin-6-ium-2-one
CID 123991954
2-ethyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 57250075
5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid
CID 82373195
2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
CID 57145879
6-[1,2-dihydroxy-4-(methylamino)butyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 171890424
ethyl 4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)but-3-enoate
CID 170796317
N-[3,4-dihydroxy-4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)butyl]acetamide
CID 171883256

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one (CID 122697153) is 5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one is CCc1ncc2oc(=O)[nH]c2n1.
What is the InChIKey of 5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one?
The InChIKey is SUYSOVGVHVUOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-2-5-8-3-4-6(9-5)10-7(11)12-4/h3H,2H2,1H3,(H,8,9,10,11).
What are the key properties of 5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one?
5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one has a molecular weight of 165.15 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 122697153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).