3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one

C7H5N3O2 — CID 137172753

IUPAC3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1ccon1
InChIInChI=1S/C7H5N3O2/c11-7-6(8-2-3-9-7)5-1-4-12-10-5/h1-4H,(H,9,11)
InChIKeyRPXKVCATQHGXTO-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.42
Rot. Bonds1

About 3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one

3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one (PubChem CID 137172753) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one
PubChem CID137172753
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1ccon1
InChIInChI=1S/C7H5N3O2/c11-7-6(8-2-3-9-7)5-1-4-12-10-5/h1-4H,(H,9,11)
InChIKeyRPXKVCATQHGXTO-UHFFFAOYSA-N
XLogP0.42
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(2,4-dimethylphenyl)-1H-pyrazin-2-one
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3-(3-methylphenyl)-1H-pyrazin-2-one
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3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole
CID 91208566
3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one
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3-(2-chloro-4-fluorophenyl)-1H-pyrazin-2-one
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3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one
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3-methyl-1H-pyrazin-2-one;hydrochloride
CID 70076933
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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one (CID 137172753) is 3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one is O=c1[nH]ccnc1-c1ccon1.
What is the InChIKey of 3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one?
The InChIKey is RPXKVCATQHGXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-7-6(8-2-3-9-7)5-1-4-12-10-5/h1-4H,(H,9,11).
What are the key properties of 3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one?
3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one has a molecular weight of 163.14 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 137172753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).