3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid

C17H17FN2O4 — CID 119258251

IUPAC3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(CCc1ncc(-c2ccccc2)o1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C17H17FN2O4/c18-17(16(22)23)8-9-20(11-17)15(21)7-6-14-19-10-13(24-14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,22,23)
InChIKeyKKDXBQLYRQVXJA-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.30
Rot. Bonds5

About 3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119258251) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119258251
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(CCc1ncc(-c2ccccc2)o1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C17H17FN2O4/c18-17(16(22)23)8-9-20(11-17)15(21)7-6-14-19-10-13(24-14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,22,23)
InChIKeyKKDXBQLYRQVXJA-UHFFFAOYSA-N
XLogP2.30
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid (CID 119258251) is 3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid is O=C(CCc1ncc(-c2ccccc2)o1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is KKDXBQLYRQVXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c18-17(16(22)23)8-9-20(11-17)15(21)7-6-14-19-10-13(24-14)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,22,23).
What are the key properties of 3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 332.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).