(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol

C8H11F3N2O2 — CID 7221665

IUPAC(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol
SMILESCc1cc(CNC[C@H](O)C(F)(F)F)no1
InChIInChI=1S/C8H11F3N2O2/c1-5-2-6(13-15-5)3-12-4-7(14)8(9,10)11/h2,7,12,14H,3-4H2,1H3/t7-/m0/s1
InChIKeyPFGYVCNVXKRYLH-ZETCQYMHSA-N
MW224.18 g/mol
LogP1.00
Rot. Bonds4

About (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol

(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol (PubChem CID 7221665) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol
PubChem CID7221665
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol
SMILESCc1cc(CNC[C@H](O)C(F)(F)F)no1
InChIInChI=1S/C8H11F3N2O2/c1-5-2-6(13-15-5)3-12-4-7(14)8(9,10)11/h2,7,12,14H,3-4H2,1H3/t7-/m0/s1
InChIKeyPFGYVCNVXKRYLH-ZETCQYMHSA-N
XLogP1.00
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-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 (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol (CID 7221665) is (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol is Cc1cc(CNC[C@H](O)C(F)(F)F)no1.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol?
The InChIKey is PFGYVCNVXKRYLH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-5-2-6(13-15-5)3-12-4-7(14)8(9,10)11/h2,7,12,14H,3-4H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol has a molecular weight of 224.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 7221665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).