2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C15H10FN3O3S — CID 66643773

IUPAC2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C=Cc2conc2-c2ccc(F)cn2)sc1C(=O)O
InChIInChI=1S/C15H10FN3O3S/c1-8-14(15(20)21)23-12(18-8)5-2-9-7-22-19-13(9)11-4-3-10(16)6-17-11/h2-7H,1H3,(H,20,21)
InChIKeyWIMXITOSXGWVSB-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.51
Rot. Bonds4

About 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 66643773) has the molecular formula C15H10FN3O3S and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID66643773
Molecular FormulaC15H10FN3O3S
Molecular Weight331.33 g/mol
Exact Mass331.04
IUPAC Name2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C=Cc2conc2-c2ccc(F)cn2)sc1C(=O)O
InChIInChI=1S/C15H10FN3O3S/c1-8-14(15(20)21)23-12(18-8)5-2-9-7-22-19-13(9)11-4-3-10(16)6-17-11/h2-7H,1H3,(H,20,21)
InChIKeyWIMXITOSXGWVSB-UHFFFAOYSA-N
XLogP3.51
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 66643773) is 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(C=Cc2conc2-c2ccc(F)cn2)sc1C(=O)O.
What is the InChIKey of 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is WIMXITOSXGWVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3S/c1-8-14(15(20)21)23-12(18-8)5-2-9-7-22-19-13(9)11-4-3-10(16)6-17-11/h2-7H,1H3,(H,20,21).
What are the key properties of 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66643773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).