2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid

C13H12FNO3 — CID 69065396

IUPAC2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(F)cc2)oc1C(=O)O
InChIInChI=1S/C13H12FNO3/c1-2-3-10-11(13(16)17)18-12(15-10)8-4-6-9(14)7-5-8/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyVASUFHVZXNYBKB-UHFFFAOYSA-N
MW249.24 g/mol
LogP3.13
Rot. Bonds4

About 2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid

2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid (PubChem CID 69065396) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
PubChem CID69065396
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(F)cc2)oc1C(=O)O
InChIInChI=1S/C13H12FNO3/c1-2-3-10-11(13(16)17)18-12(15-10)8-4-6-9(14)7-5-8/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyVASUFHVZXNYBKB-UHFFFAOYSA-N
XLogP3.13
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid (CID 69065396) is 2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid is CCCc1nc(-c2ccc(F)cc2)oc1C(=O)O.
What is the InChIKey of 2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is VASUFHVZXNYBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-2-3-10-11(13(16)17)18-12(15-10)8-4-6-9(14)7-5-8/h4-7H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 249.24 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 69065396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).