1,2-oxazol-2-ium hydroxide

C3H5NO2 — CID 18378531

IUPAC1,2-oxazol-2-ium hydroxide
SMILES[OH-].c1c[nH+]oc1
InChIInChI=1S/C3H3NO.H2O/c1-2-4-5-3-1;/h1-3H;1H2
InChIKeyYZLSXKIVGNQGPR-UHFFFAOYSA-N
MW87.08 g/mol
LogP-0.08
Rot. Bonds

About 1,2-oxazol-2-ium hydroxide

1,2-oxazol-2-ium hydroxide (PubChem CID 18378531) has the molecular formula C3H5NO2 and a molecular weight of 87.08 g/mol. Its IUPAC name is 1,2-oxazol-2-ium hydroxide.

Molecular Properties

Compound Name1,2-oxazol-2-ium hydroxide
PubChem CID18378531
Molecular FormulaC3H5NO2
Molecular Weight87.08 g/mol
Exact Mass87.03
IUPAC Name1,2-oxazol-2-ium hydroxide
SMILES[OH-].c1c[nH+]oc1
InChIInChI=1S/C3H3NO.H2O/c1-2-4-5-3-1;/h1-3H;1H2
InChIKeyYZLSXKIVGNQGPR-UHFFFAOYSA-N
XLogP-0.08
TPSA57.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isoxazole
CID 9254
Isoxazole 2-oxide
CID 18331446
Isoxazolium iodide
CID 21569482
Isoxazole hydrochloride
CID 22273558
4-Deuteroisoxazole
CID 23278574
Isoxazole water
CID 69327031
Isoxazole propionate
CID 69493953
Isoxazolium sulfate
CID 129678146
Isoxazolium tetrafluoroborate
CID 129859619
Chromium,pentacarbonyl(isoxazole-N2)-(OC-6-22)-
CID 522403
1,2-Oxazol-2-ium-2-sulfonate
CID 19977618
Hydron;1,2-oxazole
CID 20294437

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-2-ium hydroxide?
The IUPAC name of 1,2-oxazol-2-ium hydroxide (CID 18378531) is 1,2-oxazol-2-ium hydroxide.
What is the SMILES notation for 1,2-oxazol-2-ium hydroxide?
The canonical SMILES for 1,2-oxazol-2-ium hydroxide is [OH-].c1c[nH+]oc1.
What is the InChIKey of 1,2-oxazol-2-ium hydroxide?
The InChIKey is YZLSXKIVGNQGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.H2O/c1-2-4-5-3-1;/h1-3H;1H2.
What are the key properties of 1,2-oxazol-2-ium hydroxide?
1,2-oxazol-2-ium hydroxide has a molecular weight of 87.08 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-2-ium hydroxide is sourced from PubChem (CID 18378531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).