5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

C10H13F3N2O3 — CID 55010822

IUPAC5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCCN(Cc1cc(C(=O)O)no1)CC(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-2-3-15(6-10(11,12)13)5-7-4-8(9(16)17)14-18-7/h4H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyWQHLOCCBYCLMFS-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.15
Rot. Bonds6

About 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 55010822) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID55010822
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCCN(Cc1cc(C(=O)O)no1)CC(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-2-3-15(6-10(11,12)13)5-7-4-8(9(16)17)14-18-7/h4H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyWQHLOCCBYCLMFS-UHFFFAOYSA-N
XLogP2.15
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 55010822) is 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is CCCN(Cc1cc(C(=O)O)no1)CC(F)(F)F.
What is the InChIKey of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is WQHLOCCBYCLMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-2-3-15(6-10(11,12)13)5-7-4-8(9(16)17)14-18-7/h4H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 266.22 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 55010822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).