2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one

C12H13N3O3 — CID 82376840

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
SMILESCc1noc(C)c1CC1Nc2cocc2NC1=O
InChIInChI=1S/C12H13N3O3/c1-6-8(7(2)18-15-6)3-9-12(16)14-11-5-17-4-10(11)13-9/h4-5,9,13H,3H2,1-2H3,(H,14,16)
InChIKeyWSMWWYOXCDZLAY-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.86
Rot. Bonds2

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one (PubChem CID 82376840) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
PubChem CID82376840
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
SMILESCc1noc(C)c1CC1Nc2cocc2NC1=O
InChIInChI=1S/C12H13N3O3/c1-6-8(7(2)18-15-6)3-9-12(16)14-11-5-17-4-10(11)13-9/h4-5,9,13H,3H2,1-2H3,(H,14,16)
InChIKeyWSMWWYOXCDZLAY-UHFFFAOYSA-N
XLogP1.86
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one (CID 82376840) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one is Cc1noc(C)c1CC1Nc2cocc2NC1=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The InChIKey is WSMWWYOXCDZLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-6-8(7(2)18-15-6)3-9-12(16)14-11-5-17-4-10(11)13-9/h4-5,9,13H,3H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one has a molecular weight of 247.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one is sourced from PubChem (CID 82376840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).