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

C15H12FN3O3S — CID 66643727

IUPAC2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1onc(-c2ccc(F)cn2)c1CCc1ncc(C(=O)O)s1
InChIInChI=1S/C15H12FN3O3S/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/h2,4,6-7H,3,5H2,1H3,(H,20,21)
InChIKeyWDDVRJSJYGQQCH-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.12
Rot. Bonds5

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

2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 66643727) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID66643727
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1onc(-c2ccc(F)cn2)c1CCc1ncc(C(=O)O)s1
InChIInChI=1S/C15H12FN3O3S/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/h2,4,6-7H,3,5H2,1H3,(H,20,21)
InChIKeyWDDVRJSJYGQQCH-UHFFFAOYSA-N
XLogP3.12
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid (CID 66643727) is 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid is Cc1onc(-c2ccc(F)cn2)c1CCc1ncc(C(=O)O)s1.
What is the InChIKey of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is WDDVRJSJYGQQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/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/h2,4,6-7H,3,5H2,1H3,(H,20,21).
What are the key properties of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 3.12, 5 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)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66643727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).