1,2-oxazol-2-ium;1,3-oxazol-3-ium

C6H8N2O2+2 — CID 19992459

IUPAC1,2-oxazol-2-ium;1,3-oxazol-3-ium
SMILESc1c[nH+]oc1.c1coc[nH+]1
InChIInChI=1S/2C3H3NO/c1-2-5-3-4-1;1-2-4-5-3-1/h2*1-3H/p+2
InChIKeyRJXNZBKNKLNXLX-UHFFFAOYSA-P
MW140.14 g/mol
LogP0.19
Rot. Bonds

About 1,2-oxazol-2-ium;1,3-oxazol-3-ium

1,2-oxazol-2-ium;1,3-oxazol-3-ium (PubChem CID 19992459) has the molecular formula C6H8N2O2+2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1,2-oxazol-2-ium;1,3-oxazol-3-ium.

Molecular Properties

Compound Name1,2-oxazol-2-ium;1,3-oxazol-3-ium
PubChem CID19992459
Molecular FormulaC6H8N2O2+2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1,2-oxazol-2-ium;1,3-oxazol-3-ium
SMILESc1c[nH+]oc1.c1coc[nH+]1
InChIInChI=1S/2C3H3NO/c1-2-5-3-4-1;1-2-4-5-3-1/h2*1-3H/p+2
InChIKeyRJXNZBKNKLNXLX-UHFFFAOYSA-P
XLogP0.19
TPSA54.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-oxazol-2-ium;1,3-oxazol-3-ium 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 1,2-oxazol-2-ium;1,3-oxazol-3-ium?
The IUPAC name of 1,2-oxazol-2-ium;1,3-oxazol-3-ium (CID 19992459) is 1,2-oxazol-2-ium;1,3-oxazol-3-ium.
What is the SMILES notation for 1,2-oxazol-2-ium;1,3-oxazol-3-ium?
The canonical SMILES for 1,2-oxazol-2-ium;1,3-oxazol-3-ium is c1c[nH+]oc1.c1coc[nH+]1.
What is the InChIKey of 1,2-oxazol-2-ium;1,3-oxazol-3-ium?
The InChIKey is RJXNZBKNKLNXLX-UHFFFAOYSA-P. The full InChI is InChI=1S/2C3H3NO/c1-2-5-3-4-1;1-2-4-5-3-1/h2*1-3H/p+2.
What are the key properties of 1,2-oxazol-2-ium;1,3-oxazol-3-ium?
1,2-oxazol-2-ium;1,3-oxazol-3-ium has a molecular weight of 140.14 g/mol, XLogP of 0.19, 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;1,3-oxazol-3-ium is sourced from PubChem (CID 19992459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).