5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C9H11F3N2O5 — CID 107482305

IUPAC5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C9H11F3N2O5/c10-9(11,12)4-14(1-2-15)7(16)6-3-5(8(17)18)13-19-6/h6,15H,1-4H2,(H,17,18)
InChIKeyAHUWFSQSMMYVRC-UHFFFAOYSA-N
MW284.19 g/mol
LogP-0.40
Rot. Bonds5

About 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107482305) has the molecular formula C9H11F3N2O5 and a molecular weight of 284.19 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107482305
Molecular FormulaC9H11F3N2O5
Molecular Weight284.19 g/mol
Exact Mass284.06
IUPAC Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C9H11F3N2O5/c10-9(11,12)4-14(1-2-15)7(16)6-3-5(8(17)18)13-19-6/h6,15H,1-4H2,(H,17,18)
InChIKeyAHUWFSQSMMYVRC-UHFFFAOYSA-N
XLogP-0.40
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-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 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107482305) is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(C(=O)N(CCO)CC(F)(F)F)C1.
What is the InChIKey of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is AHUWFSQSMMYVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O5/c10-9(11,12)4-14(1-2-15)7(16)6-3-5(8(17)18)13-19-6/h6,15H,1-4H2,(H,17,18).
What are the key properties of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 284.19 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107482305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).