2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C12H19F3N2O2 — CID 103856849

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(C)c1cnc(CN(CCO)CC(F)(F)F)o1
InChIInChI=1S/C12H19F3N2O2/c1-11(2,3)9-6-16-10(19-9)7-17(4-5-18)8-12(13,14)15/h6,18H,4-5,7-8H2,1-3H3
InChIKeyFMVDEIQMGDVWHY-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.33
Rot. Bonds5

About 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103856849) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103856849
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(C)c1cnc(CN(CCO)CC(F)(F)F)o1
InChIInChI=1S/C12H19F3N2O2/c1-11(2,3)9-6-16-10(19-9)7-17(4-5-18)8-12(13,14)15/h6,18H,4-5,7-8H2,1-3H3
InChIKeyFMVDEIQMGDVWHY-UHFFFAOYSA-N
XLogP2.33
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,1-Dimethylethyl)-2-oxazolemethanol
CID 22731089
(1-((5-(Tert-butyl)oxazol-2-yl)methyl)piperidin-4-yl)methanol
CID 52274438
4-[[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 53529388
(S)-(1-((5-(tert-Butyl)oxazol-2-yl)methyl)pyrrolidin-2-yl)methanol
CID 53574116
5-Tert-butyl-2-methyl-1,3-oxazole
CID 12639617
2,5-Ditert-butyl-1,3-oxazole
CID 12639618
5-Tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
3-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-one
CID 72106844
4-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide
CID 75471043
2-Tert-butyl-5-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 56987972
5-Tert-butyl-2-(trifluoromethyl)-1,3-oxazole
CID 146379104
5-Tert-butyl-2-(difluoromethyl)-1,3-oxazole
CID 153449608

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103856849) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)(C)c1cnc(CN(CCO)CC(F)(F)F)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is FMVDEIQMGDVWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-11(2,3)9-6-16-10(19-9)7-17(4-5-18)8-12(13,14)15/h6,18H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 280.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103856849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).