1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C11H13FN2O4 — CID 119259620

IUPAC1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C11H13FN2O4/c1-6-8(7(2)18-13-6)9(15)14-4-3-11(12,5-14)10(16)17/h3-5H2,1-2H3,(H,16,17)
InChIKeyIYJYZIZHONDBNI-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.93
Rot. Bonds2

About 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119259620) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119259620
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C11H13FN2O4/c1-6-8(7(2)18-13-6)9(15)14-4-3-11(12,5-14)10(16)17/h3-5H2,1-2H3,(H,16,17)
InChIKeyIYJYZIZHONDBNI-UHFFFAOYSA-N
XLogP0.93
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 119259620) is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is Cc1noc(C)c1C(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is IYJYZIZHONDBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-6-8(7(2)18-13-6)9(15)14-4-3-11(12,5-14)10(16)17/h3-5H2,1-2H3,(H,16,17).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 256.23 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).