1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid

C13H9N3O4 — CID 67009989

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(-n2c(=O)c(C(=O)O)cc3cccnc32)no1
InChIInChI=1S/C13H9N3O4/c1-7-5-10(15-20-7)16-11-8(3-2-4-14-11)6-9(12(16)17)13(18)19/h2-6H,1H3,(H,18,19)
InChIKeyRXFBGGZVECPMOY-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.38
Rot. Bonds2

About 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid

1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 67009989) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID67009989
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(-n2c(=O)c(C(=O)O)cc3cccnc32)no1
InChIInChI=1S/C13H9N3O4/c1-7-5-10(15-20-7)16-11-8(3-2-4-14-11)6-9(12(16)17)13(18)19/h2-6H,1H3,(H,18,19)
InChIKeyRXFBGGZVECPMOY-UHFFFAOYSA-N
XLogP1.38
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 67009989) is 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1cc(-n2c(=O)c(C(=O)O)cc3cccnc32)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is RXFBGGZVECPMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4/c1-7-5-10(15-20-7)16-11-8(3-2-4-14-11)6-9(12(16)17)13(18)19/h2-6H,1H3,(H,18,19).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid?
1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 67009989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).