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

C13H21F3N2O2 — CID 111022252

IUPAC3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCC(C)(C)c1cnc(CN(CCCO)CC(F)(F)F)o1
InChIInChI=1S/C13H21F3N2O2/c1-12(2,3)10-7-17-11(20-10)8-18(5-4-6-19)9-13(14,15)16/h7,19H,4-6,8-9H2,1-3H3
InChIKeyBFOPBIHVUMWQIQ-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.72
Rot. Bonds6

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

3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 111022252) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID111022252
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCC(C)(C)c1cnc(CN(CCCO)CC(F)(F)F)o1
InChIInChI=1S/C13H21F3N2O2/c1-12(2,3)10-7-17-11(20-10)8-18(5-4-6-19)9-13(14,15)16/h7,19H,4-6,8-9H2,1-3H3
InChIKeyBFOPBIHVUMWQIQ-UHFFFAOYSA-N
XLogP2.72
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol 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-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 111022252) is 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is CC(C)(C)c1cnc(CN(CCCO)CC(F)(F)F)o1.
What is the InChIKey of 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is BFOPBIHVUMWQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-12(2,3)10-7-17-11(20-10)8-18(5-4-6-19)9-13(14,15)16/h7,19H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 294.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 111022252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).