[3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol

C16H17F3N2O3 — CID 56775608

IUPAC[3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(CC2(NCc3ccc(C(F)(F)F)cc3)COC2)no1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)12-3-1-11(2-4-12)7-20-15(9-23-10-15)6-13-5-14(8-22)24-21-13/h1-5,20,22H,6-10H2
InChIKeyRQGLMLQGXGOUCW-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.29
Rot. Bonds6

About [3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol

[3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol (PubChem CID 56775608) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is [3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
PubChem CID56775608
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name[3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(CC2(NCc3ccc(C(F)(F)F)cc3)COC2)no1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)12-3-1-11(2-4-12)7-20-15(9-23-10-15)6-13-5-14(8-22)24-21-13/h1-5,20,22H,6-10H2
InChIKeyRQGLMLQGXGOUCW-UHFFFAOYSA-N
XLogP2.29
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol (CID 56775608) is [3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol is OCc1cc(CC2(NCc3ccc(C(F)(F)F)cc3)COC2)no1.
What is the InChIKey of [3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
The InChIKey is RQGLMLQGXGOUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c17-16(18,19)12-3-1-11(2-4-12)7-20-15(9-23-10-15)6-13-5-14(8-22)24-21-13/h1-5,20,22H,6-10H2.
What are the key properties of [3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
[3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol has a molecular weight of 342.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[[4-(trifluoromethyl)phenyl]methylamino]oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 56775608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).