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

C15H10FN3O3S — CID 66643610

IUPAC2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)O)s1
InChIInChI=1S/C15H10FN3O3S/c1-8-10(3-5-13-18-7-12(23-13)15(20)21)14(19-22-8)11-4-2-9(16)6-17-11/h2-7H,1H3,(H,20,21)/b5-3+
InChIKeyZMFIOXJKEHLHTQ-HWKANZROSA-N
MW331.33 g/mol
LogP3.51
Rot. Bonds4

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

2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 66643610) has the molecular formula C15H10FN3O3S and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid
PubChem CID66643610
Molecular FormulaC15H10FN3O3S
Molecular Weight331.33 g/mol
Exact Mass331.04
IUPAC Name2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)O)s1
InChIInChI=1S/C15H10FN3O3S/c1-8-10(3-5-13-18-7-12(23-13)15(20)21)14(19-22-8)11-4-2-9(16)6-17-11/h2-7H,1H3,(H,20,21)/b5-3+
InChIKeyZMFIOXJKEHLHTQ-HWKANZROSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid (CID 66643610) is 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid is Cc1onc(-c2ccc(F)cn2)c1/C=C/c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZMFIOXJKEHLHTQ-HWKANZROSA-N. The full InChI is InChI=1S/C15H10FN3O3S/c1-8-10(3-5-13-18-7-12(23-13)15(20)21)14(19-22-8)11-4-2-9(16)6-17-11/h2-7H,1H3,(H,20,21)/b5-3+.
What are the key properties of 2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid?
2-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-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-[(E)-2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66643610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).