2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one

C13H13N3O3 — CID 171922458

IUPAC2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1ccc2c(n1)CCN(Cc1ccno1)C2=O
InChIInChI=1S/C13H13N3O3/c1-18-12-3-2-10-11(15-12)5-7-16(13(10)17)8-9-4-6-14-19-9/h2-4,6H,5,7-8H2,1H3
InChIKeyVYCIGMWFXOKORT-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.28
Rot. Bonds3

About 2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one

2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 171922458) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID171922458
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1ccc2c(n1)CCN(Cc1ccno1)C2=O
InChIInChI=1S/C13H13N3O3/c1-18-12-3-2-10-11(15-12)5-7-16(13(10)17)8-9-4-6-14-19-9/h2-4,6H,5,7-8H2,1H3
InChIKeyVYCIGMWFXOKORT-UHFFFAOYSA-N
XLogP1.28
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 171922458) is 2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one is COc1ccc2c(n1)CCN(Cc1ccno1)C2=O.
What is the InChIKey of 2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is VYCIGMWFXOKORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-12-3-2-10-11(15-12)5-7-16(13(10)17)8-9-4-6-14-19-9/h2-4,6H,5,7-8H2,1H3.
What are the key properties of 2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 259.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 171922458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).