2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

C8H11F3N2O2 — CID 103864934

IUPAC2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1ccno1)CC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)6-13(3-4-14)5-7-1-2-12-15-7/h1-2,14H,3-6H2
InChIKeyCYEKILJBABHNMS-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.03
Rot. Bonds5

About 2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103864934) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103864934
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1ccno1)CC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)6-13(3-4-14)5-7-1-2-12-15-7/h1-2,14H,3-6H2
InChIKeyCYEKILJBABHNMS-UHFFFAOYSA-N
XLogP1.03
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
1-(1,2-Oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227079
5-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 71986501
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258437
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104600393
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 106414984
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106417404
2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 106417424
1,1,1-Trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 106417429
3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 106417442

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (CID 103864934) is 2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1ccno1)CC(F)(F)F.
What is the InChIKey of 2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is CYEKILJBABHNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)6-13(3-4-14)5-7-1-2-12-15-7/h1-2,14H,3-6H2.
What are the key properties of 2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 224.18 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103864934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).