5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid

C12H11FN2O3 — CID 115111231

IUPAC5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid
SMILESCN(C)c1cc(F)ccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C12H11FN2O3/c1-15(2)10-5-7(13)3-4-8(10)11-6-9(12(16)17)14-18-11/h3-6H,1-2H3,(H,16,17)
InChIKeyIOLHUWLQJZVNGK-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.24
Rot. Bonds3

About 5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid

5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 115111231) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID115111231
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid
SMILESCN(C)c1cc(F)ccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C12H11FN2O3/c1-15(2)10-5-7(13)3-4-8(10)11-6-9(12(16)17)14-18-11/h3-6H,1-2H3,(H,16,17)
InChIKeyIOLHUWLQJZVNGK-UHFFFAOYSA-N
XLogP2.24
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117404780
5-(4-methyl-2-methylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117375884
5-(2,3-dihydroxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137017056
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid
CID 117416541
5-(2-methyl-4-methylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117375885
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117488817
5-(3-hydroxy-2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117337523
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid (CID 115111231) is 5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid is CN(C)c1cc(F)ccc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is IOLHUWLQJZVNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-15(2)10-5-7(13)3-4-8(10)11-6-9(12(16)17)14-18-11/h3-6H,1-2H3,(H,16,17).
What are the key properties of 5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid?
5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)-4-fluorophenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 115111231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).