2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid

C10H12F3N3O3 — CID 146450852

IUPAC2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(CCNCC(F)(F)F)O2
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)5-14-2-1-6-4-16-8(19-6)3-7(15-16)9(17)18/h3,6,14H,1-2,4-5H2,(H,17,18)
InChIKeyDKTTYPBJYPKVEE-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.88
Rot. Bonds5

About 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid

2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (PubChem CID 146450852) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
PubChem CID146450852
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(CCNCC(F)(F)F)O2
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)5-14-2-1-6-4-16-8(19-6)3-7(15-16)9(17)18/h3,6,14H,1-2,4-5H2,(H,17,18)
InChIKeyDKTTYPBJYPKVEE-UHFFFAOYSA-N
XLogP0.88
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-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 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The IUPAC name of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (CID 146450852) is 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is O=C(O)c1cc2n(n1)CC(CCNCC(F)(F)F)O2.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The InChIKey is DKTTYPBJYPKVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)5-14-2-1-6-4-16-8(19-6)3-7(15-16)9(17)18/h3,6,14H,1-2,4-5H2,(H,17,18).
What are the key properties of 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid has a molecular weight of 279.22 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is sourced from PubChem (CID 146450852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).