3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid

C14H10FN3O3 — CID 117463321

IUPAC3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1nccn1-c1ccc(-c2cc(C(=O)O)on2)cc1F
InChIInChI=1S/C14H10FN3O3/c1-8-16-4-5-18(8)12-3-2-9(6-10(12)15)11-7-13(14(19)20)21-17-11/h2-7H,1H3,(H,19,20)
InChIKeyVUZXOZLXLOIKQB-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.67
Rot. Bonds3

About 3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117463321) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117463321
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1nccn1-c1ccc(-c2cc(C(=O)O)on2)cc1F
InChIInChI=1S/C14H10FN3O3/c1-8-16-4-5-18(8)12-3-2-9(6-10(12)15)11-7-13(14(19)20)21-17-11/h2-7H,1H3,(H,19,20)
InChIKeyVUZXOZLXLOIKQB-UHFFFAOYSA-N
XLogP2.67
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117463321) is 3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid is Cc1nccn1-c1ccc(-c2cc(C(=O)O)on2)cc1F.
What is the InChIKey of 3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is VUZXOZLXLOIKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c1-8-16-4-5-18(8)12-3-2-9(6-10(12)15)11-7-13(14(19)20)21-17-11/h2-7H,1H3,(H,19,20).
What are the key properties of 3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 287.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117463321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).