4-deuterio-1,2-oxazole

C3H3NO — CID 23278574

IUPAC4-deuterio-1,2-oxazole
SMILES[2H]c1cnoc1
InChIInChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H/i1D
InChIKeyCTAPFRYPJLPFDF-MICDWDOJSA-N
MW70.07 g/mol
LogP0.67
Rot. Bonds

About 4-deuterio-1,2-oxazole

4-deuterio-1,2-oxazole (PubChem CID 23278574) has the molecular formula C3H3NO and a molecular weight of 70.07 g/mol. Its IUPAC name is 4-deuterio-1,2-oxazole.

Molecular Properties

Compound Name4-deuterio-1,2-oxazole
PubChem CID23278574
Molecular FormulaC3H3NO
Molecular Weight70.07 g/mol
Exact Mass70.03
IUPAC Name4-deuterio-1,2-oxazole
SMILES[2H]c1cnoc1
InChIInChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H/i1D
InChIKeyCTAPFRYPJLPFDF-MICDWDOJSA-N
XLogP0.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.07
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-deuterio-1,2-oxazole?
The IUPAC name of 4-deuterio-1,2-oxazole (CID 23278574) is 4-deuterio-1,2-oxazole.
What is the SMILES notation for 4-deuterio-1,2-oxazole?
The canonical SMILES for 4-deuterio-1,2-oxazole is [2H]c1cnoc1.
What is the InChIKey of 4-deuterio-1,2-oxazole?
The InChIKey is CTAPFRYPJLPFDF-MICDWDOJSA-N. The full InChI is InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H/i1D.
What are the key properties of 4-deuterio-1,2-oxazole?
4-deuterio-1,2-oxazole has a molecular weight of 70.07 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-1,2-oxazole is sourced from PubChem (CID 23278574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).