1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid

C12H15FN2O4 — CID 119258455

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1CC(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C12H15FN2O4/c1-7-9(8(2)19-14-7)5-10(16)15-4-3-12(13,6-15)11(17)18/h3-6H2,1-2H3,(H,17,18)
InChIKeyRGLDXONMIXZUDX-UHFFFAOYSA-N
MW270.26 g/mol
LogP0.86
Rot. Bonds3

About 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119258455) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119258455
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1CC(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C12H15FN2O4/c1-7-9(8(2)19-14-7)5-10(16)15-4-3-12(13,6-15)11(17)18/h3-6H2,1-2H3,(H,17,18)
InChIKeyRGLDXONMIXZUDX-UHFFFAOYSA-N
XLogP0.86
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 119258455) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid is Cc1noc(C)c1CC(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is RGLDXONMIXZUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-7-9(8(2)19-14-7)5-10(16)15-4-3-12(13,6-15)11(17)18/h3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).