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

C10H13F3N2O5 — CID 56950048

IUPAC[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCc1cc(OC[C@@H]2CCN2)no1
InChIInChI=1S/C8H12N2O3.C2HF3O2/c11-4-7-3-8(10-13-7)12-5-6-1-2-9-6;3-2(4,5)1(6)7/h3,6,9,11H,1-2,4-5H2;(H,6,7)/t6-;/m0./s1
InChIKeyXOOFQEWSZYZGRA-RGMNGODLSA-N
MW298.22 g/mol
LogP0.54
Rot. Bonds4

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

[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid (PubChem CID 56950048) has the molecular formula C10H13F3N2O5 and a molecular weight of 298.22 g/mol. Its IUPAC name is [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid
PubChem CID56950048
Molecular FormulaC10H13F3N2O5
Molecular Weight298.22 g/mol
Exact Mass298.08
IUPAC Name[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCc1cc(OC[C@@H]2CCN2)no1
InChIInChI=1S/C8H12N2O3.C2HF3O2/c11-4-7-3-8(10-13-7)12-5-6-1-2-9-6;3-2(4,5)1(6)7/h3,6,9,11H,1-2,4-5H2;(H,6,7)/t6-;/m0./s1
InChIKeyXOOFQEWSZYZGRA-RGMNGODLSA-N
XLogP0.54
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid (CID 56950048) is [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCc1cc(OC[C@@H]2CCN2)no1.
What is the InChIKey of [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid?
The InChIKey is XOOFQEWSZYZGRA-RGMNGODLSA-N. The full InChI is InChI=1S/C8H12N2O3.C2HF3O2/c11-4-7-3-8(10-13-7)12-5-6-1-2-9-6;3-2(4,5)1(6)7/h3,6,9,11H,1-2,4-5H2;(H,6,7)/t6-;/m0./s1.
What are the key properties of [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid?
[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid has a molecular weight of 298.22 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56950048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).