1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

C13H14N2O5 — CID 66188762

IUPAC1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCOCc1cc(Cn2c(C)ccc(C(=O)O)c2=O)no1
InChIInChI=1S/C13H14N2O5/c1-8-3-4-11(13(17)18)12(16)15(8)6-9-5-10(7-19-2)20-14-9/h3-5H,6-7H2,1-2H3,(H,17,18)
InChIKeyVJAHWANWYPMMMR-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.04
Rot. Bonds5

About 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 66188762) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID66188762
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCOCc1cc(Cn2c(C)ccc(C(=O)O)c2=O)no1
InChIInChI=1S/C13H14N2O5/c1-8-3-4-11(13(17)18)12(16)15(8)6-9-5-10(7-19-2)20-14-9/h3-5H,6-7H2,1-2H3,(H,17,18)
InChIKeyVJAHWANWYPMMMR-UHFFFAOYSA-N
XLogP1.04
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (CID 66188762) is 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is COCc1cc(Cn2c(C)ccc(C(=O)O)c2=O)no1.
What is the InChIKey of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is VJAHWANWYPMMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-8-3-4-11(13(17)18)12(16)15(8)6-9-5-10(7-19-2)20-14-9/h3-5H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 66188762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).