2-(dideuteriomethyl)-1,3-oxazole

C4H5NO — CID 167525558

IUPAC2-(dideuteriomethyl)-1,3-oxazole
SMILES[2H]C([2H])c1ncco1
InChIInChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3/i1D2
InChIKeyZCHCHJQEWYIJDQ-DICFDUPASA-N
MW85.10 g/mol
LogP0.98
Rot. Bonds1

About 2-(dideuteriomethyl)-1,3-oxazole

2-(dideuteriomethyl)-1,3-oxazole (PubChem CID 167525558) has the molecular formula C4H5NO and a molecular weight of 85.10 g/mol. Its IUPAC name is 2-(dideuteriomethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(dideuteriomethyl)-1,3-oxazole
PubChem CID167525558
Molecular FormulaC4H5NO
Molecular Weight85.10 g/mol
Exact Mass85.05
IUPAC Name2-(dideuteriomethyl)-1,3-oxazole
SMILES[2H]C([2H])c1ncco1
InChIInChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3/i1D2
InChIKeyZCHCHJQEWYIJDQ-DICFDUPASA-N
XLogP0.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.10
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dideuteriomethyl)-1,3-oxazole?
The IUPAC name of 2-(dideuteriomethyl)-1,3-oxazole (CID 167525558) is 2-(dideuteriomethyl)-1,3-oxazole.
What is the SMILES notation for 2-(dideuteriomethyl)-1,3-oxazole?
The canonical SMILES for 2-(dideuteriomethyl)-1,3-oxazole is [2H]C([2H])c1ncco1.
What is the InChIKey of 2-(dideuteriomethyl)-1,3-oxazole?
The InChIKey is ZCHCHJQEWYIJDQ-DICFDUPASA-N. The full InChI is InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3/i1D2.
What are the key properties of 2-(dideuteriomethyl)-1,3-oxazole?
2-(dideuteriomethyl)-1,3-oxazole has a molecular weight of 85.10 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dideuteriomethyl)-1,3-oxazole is sourced from PubChem (CID 167525558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).