2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole

C5H9NO — CID 54136673

IUPAC2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole
SMILES[2H]C([2H])(C)C1=NCCO1
InChIInChI=1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3/i2D2
InChIKeyNYEZZYQZRQDLEH-CBTSVUPCSA-N
MW101.15 g/mol
LogP0.83
Rot. Bonds1

About 2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole

2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 54136673) has the molecular formula C5H9NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole
PubChem CID54136673
Molecular FormulaC5H9NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole
SMILES[2H]C([2H])(C)C1=NCCO1
InChIInChI=1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3/i2D2
InChIKeyNYEZZYQZRQDLEH-CBTSVUPCSA-N
XLogP0.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole (CID 54136673) is 2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole is [2H]C([2H])(C)C1=NCCO1.
What is the InChIKey of 2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is NYEZZYQZRQDLEH-CBTSVUPCSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3/i2D2.
What are the key properties of 2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole?
2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 101.15 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dideuterioethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 54136673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).