3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid

C14H14N2O3 — CID 55035014

IUPAC3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid
SMILESCN1CCCc2cc(-c3cc(C(=O)O)on3)ccc21
InChIInChI=1S/C14H14N2O3/c1-16-6-2-3-10-7-9(4-5-12(10)16)11-8-13(14(17)18)19-15-11/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)
InChIKeyZBXGLPPJODRBGG-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.42
Rot. Bonds2

About 3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid

3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 55035014) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID55035014
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid
SMILESCN1CCCc2cc(-c3cc(C(=O)O)on3)ccc21
InChIInChI=1S/C14H14N2O3/c1-16-6-2-3-10-7-9(4-5-12(10)16)11-8-13(14(17)18)19-15-11/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)
InChIKeyZBXGLPPJODRBGG-UHFFFAOYSA-N
XLogP2.42
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117433603
3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117430746
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729
3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117435506
(E)-3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]but-2-enoic acid
CID 82543782
5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid
CID 115422452
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82371321
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
3-(3-methyl-1,2-benzoxazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117361899
3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461860
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid (CID 55035014) is 3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid is CN1CCCc2cc(-c3cc(C(=O)O)on3)ccc21.
What is the InChIKey of 3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZBXGLPPJODRBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-16-6-2-3-10-7-9(4-5-12(10)16)11-8-13(14(17)18)19-15-11/h4-5,7-8H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid?
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 55035014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).