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

C10H11F3N2O4 — CID 150533227

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(CCOCC(F)(F)F)O2
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)5-18-2-1-6-4-15-8(19-6)3-7(14-15)9(16)17/h3,6H,1-2,4-5H2,(H,16,17)
InChIKeyIEHDMAUOJDBUTF-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.31
Rot. Bonds5

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

2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (PubChem CID 150533227) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
PubChem CID150533227
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(CCOCC(F)(F)F)O2
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)5-18-2-1-6-4-15-8(19-6)3-7(14-15)9(16)17/h3,6H,1-2,4-5H2,(H,16,17)
InChIKeyIEHDMAUOJDBUTF-UHFFFAOYSA-N
XLogP1.31
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (CID 150533227) is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is O=C(O)c1cc2n(n1)CC(CCOCC(F)(F)F)O2.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The InChIKey is IEHDMAUOJDBUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c11-10(12,13)5-18-2-1-6-4-15-8(19-6)3-7(14-15)9(16)17/h3,6H,1-2,4-5H2,(H,16,17).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid has a molecular weight of 280.20 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is sourced from PubChem (CID 150533227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).