5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one

C7H8N2O2 — CID 54334231

IUPAC5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one
SMILESCN1CCc2ncoc2C1=O
InChIInChI=1S/C7H8N2O2/c1-9-3-2-5-6(7(9)10)11-4-8-5/h4H,2-3H2,1H3
InChIKeyTUHYEVVVCSOESP-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.30
Rot. Bonds

About 5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one

5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one (PubChem CID 54334231) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one
PubChem CID54334231
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one
SMILESCN1CCc2ncoc2C1=O
InChIInChI=1S/C7H8N2O2/c1-9-3-2-5-6(7(9)10)11-4-8-5/h4H,2-3H2,1H3
InChIKeyTUHYEVVVCSOESP-UHFFFAOYSA-N
XLogP0.30
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one (CID 54334231) is 5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one is CN1CCc2ncoc2C1=O.
What is the InChIKey of 5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one?
The InChIKey is TUHYEVVVCSOESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-9-3-2-5-6(7(9)10)11-4-8-5/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one?
5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one has a molecular weight of 152.15 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-[1,3]oxazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 54334231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).