6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one

C13H12N4O3 — CID 72941227

IUPAC6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
SMILESCOCc1noc(Cn2ccc3ncccc3c2=O)n1
InChIInChI=1S/C13H12N4O3/c1-19-8-11-15-12(20-16-11)7-17-6-4-10-9(13(17)18)3-2-5-14-10/h2-6H,7-8H2,1H3
InChIKeyFWTGTLYIMVDCEG-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.97
Rot. Bonds4

About 6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one

6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one (PubChem CID 72941227) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
PubChem CID72941227
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
SMILESCOCc1noc(Cn2ccc3ncccc3c2=O)n1
InChIInChI=1S/C13H12N4O3/c1-19-8-11-15-12(20-16-11)7-17-6-4-10-9(13(17)18)3-2-5-14-10/h2-6H,7-8H2,1H3
InChIKeyFWTGTLYIMVDCEG-UHFFFAOYSA-N
XLogP0.97
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
The IUPAC name of 6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one (CID 72941227) is 6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one is COCc1noc(Cn2ccc3ncccc3c2=O)n1.
What is the InChIKey of 6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
The InChIKey is FWTGTLYIMVDCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-19-8-11-15-12(20-16-11)7-17-6-4-10-9(13(17)18)3-2-5-14-10/h2-6H,7-8H2,1H3.
What are the key properties of 6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one?
6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one has a molecular weight of 272.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 72941227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).