1,2-oxazole;1,3-oxazole

C6H6N2O2 — CID 22623272

IUPAC1,2-oxazole;1,3-oxazole
SMILESc1cnoc1.c1cocn1
InChIInChI=1S/2C3H3NO/c1-2-5-3-4-1;1-2-4-5-3-1/h2*1-3H
InChIKeyRJXNZBKNKLNXLX-UHFFFAOYSA-N
MW138.13 g/mol
LogP1.35
Rot. Bonds

About 1,2-oxazole;1,3-oxazole

1,2-oxazole;1,3-oxazole (PubChem CID 22623272) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole
PubChem CID22623272
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name1,2-oxazole;1,3-oxazole
SMILESc1cnoc1.c1cocn1
InChIInChI=1S/2C3H3NO/c1-2-5-3-4-1;1-2-4-5-3-1/h2*1-3H
InChIKeyRJXNZBKNKLNXLX-UHFFFAOYSA-N
XLogP1.35
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole?
The IUPAC name of 1,2-oxazole;1,3-oxazole (CID 22623272) is 1,2-oxazole;1,3-oxazole.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole?
The canonical SMILES for 1,2-oxazole;1,3-oxazole is c1cnoc1.c1cocn1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole?
The InChIKey is RJXNZBKNKLNXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO/c1-2-5-3-4-1;1-2-4-5-3-1/h2*1-3H.
What are the key properties of 1,2-oxazole;1,3-oxazole?
1,2-oxazole;1,3-oxazole has a molecular weight of 138.13 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 22623272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).