3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one

C10H10N2O2 — CID 155652897

IUPAC3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one
SMILESO=C1OCC2CCc3ncccc3N12
InChIInChI=1S/C10H10N2O2/c13-10-12-7(6-14-10)3-4-8-9(12)2-1-5-11-8/h1-2,5,7H,3-4,6H2
InChIKeyZTOUQQFLFVGBMS-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.35
Rot. Bonds

About 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one

3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one (PubChem CID 155652897) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one.

Molecular Properties

Compound Name3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one
PubChem CID155652897
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one
SMILESO=C1OCC2CCc3ncccc3N12
InChIInChI=1S/C10H10N2O2/c13-10-12-7(6-14-10)3-4-8-9(12)2-1-5-11-8/h1-2,5,7H,3-4,6H2
InChIKeyZTOUQQFLFVGBMS-UHFFFAOYSA-N
XLogP1.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one?
The IUPAC name of 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one (CID 155652897) is 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one.
What is the SMILES notation for 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one?
The canonical SMILES for 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one is O=C1OCC2CCc3ncccc3N12.
What is the InChIKey of 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one?
The InChIKey is ZTOUQQFLFVGBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-10-12-7(6-14-10)3-4-8-9(12)2-1-5-11-8/h1-2,5,7H,3-4,6H2.
What are the key properties of 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one?
3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one has a molecular weight of 190.20 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,5]naphthyridin-1-one is sourced from PubChem (CID 155652897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).