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

C11H13F3N2O5 — CID 150513468

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(COCCOCC(F)(F)F)O2
InChIInChI=1S/C11H13F3N2O5/c12-11(13,14)6-20-2-1-19-5-7-4-16-9(21-7)3-8(15-16)10(17)18/h3,7H,1-2,4-6H2,(H,17,18)
InChIKeyIAIMADYBYMKZKZ-UHFFFAOYSA-N
MW310.23 g/mol
LogP0.94
Rot. Bonds7

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

2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (PubChem CID 150513468) has the molecular formula C11H13F3N2O5 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
PubChem CID150513468
Molecular FormulaC11H13F3N2O5
Molecular Weight310.23 g/mol
Exact Mass310.08
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(COCCOCC(F)(F)F)O2
InChIInChI=1S/C11H13F3N2O5/c12-11(13,14)6-20-2-1-19-5-7-4-16-9(21-7)3-8(15-16)10(17)18/h3,7H,1-2,4-6H2,(H,17,18)
InChIKeyIAIMADYBYMKZKZ-UHFFFAOYSA-N
XLogP0.94
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-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

Related Compounds

2-[3-(2,2-difluoroethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 167413980
2-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 150483656
5-(cyclopropylmethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 167414246
6,6-difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
CID 150202601
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-carboxylic acid
CID 106716934
4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 61492538
5-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 151231201
2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxylic acid
CID 103150761
5-(difluoromethyl)-N-[6-(2,2,2-trifluoroethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 167413953
3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 61492457
N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 177272967

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (CID 150513468) is 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is O=C(O)c1cc2n(n1)CC(COCCOCC(F)(F)F)O2.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The InChIKey is IAIMADYBYMKZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O5/c12-11(13,14)6-20-2-1-19-5-7-4-16-9(21-7)3-8(15-16)10(17)18/h3,7H,1-2,4-6H2,(H,17,18).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid has a molecular weight of 310.23 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is sourced from PubChem (CID 150513468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).