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

C8H12N2O3 — CID 56949639

IUPAC[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(OC[C@@H]2CCN2)no1
InChIInChI=1S/C8H12N2O3/c11-4-7-3-8(10-13-7)12-5-6-1-2-9-6/h3,6,9,11H,1-2,4-5H2/t6-/m0/s1
InChIKeyKOFXDHYGAAKMIA-LURJTMIESA-N
MW184.19 g/mol
LogP-0.09
Rot. Bonds4

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

[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol (PubChem CID 56949639) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol
PubChem CID56949639
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(OC[C@@H]2CCN2)no1
InChIInChI=1S/C8H12N2O3/c11-4-7-3-8(10-13-7)12-5-6-1-2-9-6/h3,6,9,11H,1-2,4-5H2/t6-/m0/s1
InChIKeyKOFXDHYGAAKMIA-LURJTMIESA-N
XLogP-0.09
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol (CID 56949639) is [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol is OCc1cc(OC[C@@H]2CCN2)no1.
What is the InChIKey of [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol?
The InChIKey is KOFXDHYGAAKMIA-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O3/c11-4-7-3-8(10-13-7)12-5-6-1-2-9-6/h3,6,9,11H,1-2,4-5H2/t6-/m0/s1.
What are the key properties of [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol?
[3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol has a molecular weight of 184.19 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2S)-azetidin-2-yl]methoxy]-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 56949639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).