9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

C14H13N3O6 — CID 134385066

IUPAC9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESCc1cc(CN2CCn3cc(C(=O)O)c(=O)c(O)c3C2=O)no1
InChIInChI=1S/C14H13N3O6/c1-7-4-8(15-23-7)5-17-3-2-16-6-9(14(21)22)11(18)12(19)10(16)13(17)20/h4,6,19H,2-3,5H2,1H3,(H,21,22)
InChIKeyMYGFCTOKLHXIJJ-UHFFFAOYSA-N
MW319.27 g/mol
LogP0.20
Rot. Bonds3

About 9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 134385066) has the molecular formula C14H13N3O6 and a molecular weight of 319.27 g/mol. Its IUPAC name is 9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
PubChem CID134385066
Molecular FormulaC14H13N3O6
Molecular Weight319.27 g/mol
Exact Mass319.08
IUPAC Name9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESCc1cc(CN2CCn3cc(C(=O)O)c(=O)c(O)c3C2=O)no1
InChIInChI=1S/C14H13N3O6/c1-7-4-8(15-23-7)5-17-3-2-16-6-9(14(21)22)11(18)12(19)10(16)13(17)20/h4,6,19H,2-3,5H2,1H3,(H,21,22)
InChIKeyMYGFCTOKLHXIJJ-UHFFFAOYSA-N
XLogP0.20
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

9-hydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 134385056
9-hydroxy-2-(2-hydroxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 91540634
(2,4-difluorophenyl)methanamine;3-(furan-2-ylmethyl)-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid
CID 69328584
7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane
CID 90901471
2-[(3-chloro-4-methylphenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 142901503
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid
CID 62039037
7-[3-(2,4-difluorophenyl)propanoyl]-5-hydroxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 158844790
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 20932177
2-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79371547
3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784393
(3S,6S)-11-hydroxy-6-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 91208249
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (CID 134385066) is 9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid is Cc1cc(CN2CCn3cc(C(=O)O)c(=O)c(O)c3C2=O)no1.
What is the InChIKey of 9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is MYGFCTOKLHXIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O6/c1-7-4-8(15-23-7)5-17-3-2-16-6-9(14(21)22)11(18)12(19)10(16)13(17)20/h4,6,19H,2-3,5H2,1H3,(H,21,22).
What are the key properties of 9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 319.27 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 134385066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).