1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H9F3N2O4 — CID 63710140

IUPAC1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccno1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)9(8(17)18)2-4-15(5-9)7(16)6-1-3-14-19-6/h1,3H,2,4-5H2,(H,17,18)
InChIKeyDHMDRWHJYIFNSI-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.15
Rot. Bonds2

About 1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63710140) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63710140
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccno1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)9(8(17)18)2-4-15(5-9)7(16)6-1-3-14-19-6/h1,3H,2,4-5H2,(H,17,18)
InChIKeyDHMDRWHJYIFNSI-UHFFFAOYSA-N
XLogP1.15
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63710140) is 1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(c1ccno1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is DHMDRWHJYIFNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c11-10(12,13)9(8(17)18)2-4-15(5-9)7(16)6-1-3-14-19-6/h1,3H,2,4-5H2,(H,17,18).
What are the key properties of 1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 278.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63710140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).