3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid

C12H10FNO4S — CID 117455193

IUPAC3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1c(SC)cc(F)cc1-c1cc(C(=O)O)on1
InChIInChI=1S/C12H10FNO4S/c1-17-11-7(3-6(13)4-10(11)19-2)8-5-9(12(15)16)18-14-8/h3-5H,1-2H3,(H,15,16)
InChIKeyVDZAYJTZPCZBNX-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.91
Rot. Bonds4

About 3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid

3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117455193) has the molecular formula C12H10FNO4S and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117455193
Molecular FormulaC12H10FNO4S
Molecular Weight283.28 g/mol
Exact Mass283.03
IUPAC Name3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1c(SC)cc(F)cc1-c1cc(C(=O)O)on1
InChIInChI=1S/C12H10FNO4S/c1-17-11-7(3-6(13)4-10(11)19-2)8-5-9(12(15)16)18-14-8/h3-5H,1-2H3,(H,15,16)
InChIKeyVDZAYJTZPCZBNX-UHFFFAOYSA-N
XLogP2.91
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1,2-oxazole-5-carboxylic acid
CID 117482106
3-(4-chloro-2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452106
3-(3,5-difluoro-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349988
3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421092
3-(2-fluoro-4-methyl-5-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421259
3-(2,3-dimethoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411970
3-(3-bromo-2-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117496611
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117479241
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476377
3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 83810753
3-(2,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 43150115
3-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 137004771

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117455193) is 3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid is COc1c(SC)cc(F)cc1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is VDZAYJTZPCZBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4S/c1-17-11-7(3-6(13)4-10(11)19-2)8-5-9(12(15)16)18-14-8/h3-5H,1-2H3,(H,15,16).
What are the key properties of 3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117455193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).