2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C8H11F3N2O3 — CID 107484672

IUPAC2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1nc(CO)co1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)5-13(1-2-14)7-12-6(3-15)4-16-7/h4,14-15H,1-3,5H2
InChIKeyDMRLCEVTSHMANA-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.53
Rot. Bonds5

About 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484672) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484672
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1nc(CO)co1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)5-13(1-2-14)7-12-6(3-15)4-16-7/h4,14-15H,1-3,5H2
InChIKeyDMRLCEVTSHMANA-UHFFFAOYSA-N
XLogP0.53
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484672) is 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)c1nc(CO)co1.
What is the InChIKey of 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is DMRLCEVTSHMANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)5-13(1-2-14)7-12-6(3-15)4-16-7/h4,14-15H,1-3,5H2.
What are the key properties of 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 240.18 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).