5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid

C14H14FNO5 — CID 117475829

IUPAC5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)no2)c(C(C)F)cc1OC
InChIInChI=1S/C14H14FNO5/c1-7(15)8-4-12(19-2)13(20-3)5-9(8)11-6-10(14(17)18)16-21-11/h4-7H,1-3H3,(H,17,18)
InChIKeyITOIXJRJBHQGMA-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.09
Rot. Bonds5

About 5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid

5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117475829) has the molecular formula C14H14FNO5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117475829
Molecular FormulaC14H14FNO5
Molecular Weight295.27 g/mol
Exact Mass295.09
IUPAC Name5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)no2)c(C(C)F)cc1OC
InChIInChI=1S/C14H14FNO5/c1-7(15)8-4-12(19-2)13(20-3)5-9(8)11-6-10(14(17)18)16-21-11/h4-7H,1-3H3,(H,17,18)
InChIKeyITOIXJRJBHQGMA-UHFFFAOYSA-N
XLogP3.09
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-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

5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400
5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117341655
5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117473181
5-[7-(1-fluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]-1,2-oxazole-3-carboxylic acid
CID 117492259
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117406877
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117427083
5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117443904
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid (CID 117475829) is 5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid is COc1cc(-c2cc(C(=O)O)no2)c(C(C)F)cc1OC.
What is the InChIKey of 5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is ITOIXJRJBHQGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO5/c1-7(15)8-4-12(19-2)13(20-3)5-9(8)11-6-10(14(17)18)16-21-11/h4-7H,1-3H3,(H,17,18).
What are the key properties of 5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid?
5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117475829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).