1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid

C14H16N2O5 — CID 66188954

IUPAC1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCOCc1cc(Cn2c(C)cc(C)c(C(=O)O)c2=O)no1
InChIInChI=1S/C14H16N2O5/c1-8-4-9(2)16(13(17)12(8)14(18)19)6-10-5-11(7-20-3)21-15-10/h4-5H,6-7H2,1-3H3,(H,18,19)
InChIKeyKCEOPWKGWAMJJS-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.35
Rot. Bonds5

About 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid

1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 66188954) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID66188954
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCOCc1cc(Cn2c(C)cc(C)c(C(=O)O)c2=O)no1
InChIInChI=1S/C14H16N2O5/c1-8-4-9(2)16(13(17)12(8)14(18)19)6-10-5-11(7-20-3)21-15-10/h4-5H,6-7H2,1-3H3,(H,18,19)
InChIKeyKCEOPWKGWAMJJS-UHFFFAOYSA-N
XLogP1.35
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid with MolForge

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Related Compounds

(2S)-3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 129372393
1-[[5-(Methoxymethyl)-1,2-oxazol-3-yl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 66190741
2-[[5-(Methoxymethyl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258205
3-Fluoro-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119258835
3-Fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one
CID 146103355
1-[[5-(Methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one
CID 146144041
tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate
CID 67334681
[5-(Hydroxymethyl)-1,2-oxazol-3-yl]methyl-methylcarbamic acid
CID 89303242
1-[(5-Methyl-1,2-oxazol-3-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 29565829
4,6-Dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid
CID 55126033
1-[(5-Methyl-1,2-oxazol-3-yl)methyl]-2-oxopyridine-3-carboxylic acid
CID 61720097
2,4-Dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 61850119

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (CID 66188954) is 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is COCc1cc(Cn2c(C)cc(C)c(C(=O)O)c2=O)no1.
What is the InChIKey of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is KCEOPWKGWAMJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8-4-9(2)16(13(17)12(8)14(18)19)6-10-5-11(7-20-3)21-15-10/h4-5H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 1.35, 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]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 66188954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).