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

C12H13F3N2O3 — CID 107485818

IUPAC2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cc(-c2ccco2)on1)CC(F)(F)F
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)8-17(3-4-18)7-9-6-11(20-16-9)10-2-1-5-19-10/h1-2,5-6,18H,3-4,7-8H2
InChIKeyYGIFMMBSUIQYPM-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.29
Rot. Bonds6

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

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485818) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485818
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cc(-c2ccco2)on1)CC(F)(F)F
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)8-17(3-4-18)7-9-6-11(20-16-9)10-2-1-5-19-10/h1-2,5-6,18H,3-4,7-8H2
InChIKeyYGIFMMBSUIQYPM-UHFFFAOYSA-N
XLogP2.29
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856814
N'-ethyl-N'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]ethane-1,2-diamine
CID 114231162
2-[[4-(methylamino)-2-pyridinyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486280
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
5-(furan-2-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 71796090
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62015350
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine
CID 66186647
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propylamino]ethanol
CID 60693417
2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107479168
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
2-[2,2-difluoroethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 107485412

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107485818) is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1cc(-c2ccco2)on1)CC(F)(F)F.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is YGIFMMBSUIQYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)8-17(3-4-18)7-9-6-11(20-16-9)10-2-1-5-19-10/h1-2,5-6,18H,3-4,7-8H2.
What are the key properties of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 290.24 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).