3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid

C11H15F3N2O5 — CID 56950050

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESCOCc1cc(OC[C@@H]2CCN2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H14N2O3.C2HF3O2/c1-12-6-8-4-9(11-14-8)13-5-7-2-3-10-7;3-2(4,5)1(6)7/h4,7,10H,2-3,5-6H2,1H3;(H,6,7)/t7-;/m0./s1
InChIKeyLBLNPURSDVSVPI-FJXQXJEOSA-N
MW312.24 g/mol
LogP1.20
Rot. Bonds5

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid

3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid (PubChem CID 56950050) has the molecular formula C11H15F3N2O5 and a molecular weight of 312.24 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid
PubChem CID56950050
Molecular FormulaC11H15F3N2O5
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESCOCc1cc(OC[C@@H]2CCN2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H14N2O3.C2HF3O2/c1-12-6-8-4-9(11-14-8)13-5-7-2-3-10-7;3-2(4,5)1(6)7/h4,7,10H,2-3,5-6H2,1H3;(H,6,7)/t7-;/m0./s1
InChIKeyLBLNPURSDVSVPI-FJXQXJEOSA-N
XLogP1.20
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid 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-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid (CID 56950050) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid is COCc1cc(OC[C@@H]2CCN2)no1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid?
The InChIKey is LBLNPURSDVSVPI-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H14N2O3.C2HF3O2/c1-12-6-8-4-9(11-14-8)13-5-7-2-3-10-7;3-2(4,5)1(6)7/h4,7,10H,2-3,5-6H2,1H3;(H,6,7)/t7-;/m0./s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid?
3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid has a molecular weight of 312.24 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56950050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).