5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one

C6H5N3O2 — CID 130251237

IUPAC5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one
SMILESCc1cnc2oc(=O)[nH]c2n1
InChIInChI=1S/C6H5N3O2/c1-3-2-7-5-4(8-3)9-6(10)11-5/h2H,1H3,(H,8,9,10)
InChIKeyQWULQPFKJJKDBS-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.22
Rot. Bonds

About 5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one

5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one (PubChem CID 130251237) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one
PubChem CID130251237
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one
SMILESCc1cnc2oc(=O)[nH]c2n1
InChIInChI=1S/C6H5N3O2/c1-3-2-7-5-4(8-3)9-6(10)11-5/h2H,1H3,(H,8,9,10)
InChIKeyQWULQPFKJJKDBS-UHFFFAOYSA-N
XLogP0.22
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one (CID 130251237) is 5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one is Cc1cnc2oc(=O)[nH]c2n1.
What is the InChIKey of 5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one?
The InChIKey is QWULQPFKJJKDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-3-2-7-5-4(8-3)9-6(10)11-5/h2H,1H3,(H,8,9,10).
What are the key properties of 5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one?
5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one has a molecular weight of 151.12 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-[1,3]oxazolo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 130251237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).