3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid

C15H13FN2O4 — CID 119258590

IUPAC3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1coc(-c2ccccc2)n1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H13FN2O4/c16-15(14(20)21)6-7-18(9-15)13(19)11-8-22-12(17-11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,20,21)
InChIKeyAGZZBXGEHGHYNW-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.98
Rot. Bonds3

About 3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258590) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119258590
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1coc(-c2ccccc2)n1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H13FN2O4/c16-15(14(20)21)6-7-18(9-15)13(19)11-8-22-12(17-11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,20,21)
InChIKeyAGZZBXGEHGHYNW-UHFFFAOYSA-N
XLogP1.98
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 119258590) is 3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid is O=C(c1coc(-c2ccccc2)n1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AGZZBXGEHGHYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-15(14(20)21)6-7-18(9-15)13(19)11-8-22-12(17-11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,20,21).
What are the key properties of 3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 304.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).