5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid

C13H10N2O4 — CID 117398756

IUPAC5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C1CCc2c(cccc2-c2cc(C(=O)O)no2)N1
InChIInChI=1S/C13H10N2O4/c16-12-5-4-7-8(2-1-3-9(7)14-12)11-6-10(13(17)18)15-19-11/h1-3,6H,4-5H2,(H,14,16)(H,17,18)
InChIKeyUBDBUQMATQLCTR-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.92
Rot. Bonds2

About 5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid

5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117398756) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117398756
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C1CCc2c(cccc2-c2cc(C(=O)O)no2)N1
InChIInChI=1S/C13H10N2O4/c16-12-5-4-7-8(2-1-3-9(7)14-12)11-6-10(13(17)18)15-19-11/h1-3,6H,4-5H2,(H,14,16)(H,17,18)
InChIKeyUBDBUQMATQLCTR-UHFFFAOYSA-N
XLogP1.92
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 136963380
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(1-benzofuran-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117329819
5-[6-(methylamino)-7-oxocyclohepta-1,3,5-trien-1-yl]-1,2-oxazole-3-carboxylic acid
CID 10752923
5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117361908
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117459601
5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 115003608
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 137011543
1-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)cyclopentane-1-carboxylic acid
CID 117401838
5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid
CID 117477202

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid (CID 117398756) is 5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid is O=C1CCc2c(cccc2-c2cc(C(=O)O)no2)N1.
What is the InChIKey of 5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UBDBUQMATQLCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-12-5-4-7-8(2-1-3-9(7)14-12)11-6-10(13(17)18)15-19-11/h1-3,6H,4-5H2,(H,14,16)(H,17,18).
What are the key properties of 5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117398756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).