dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol

C4H7NO2 — CID 118553097

IUPACdideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol
SMILES[2H]C([2H])(O)C1=NOCC1
InChIInChI=1S/C4H7NO2/c6-3-4-1-2-7-5-4/h6H,1-3H2/i3D2
InChIKeyAXXHZONWMAQUJM-SMZGMGDZSA-N
MW103.12 g/mol
LogP-0.25
Rot. Bonds1

About dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol

dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol (PubChem CID 118553097) has the molecular formula C4H7NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Namedideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol
PubChem CID118553097
Molecular FormulaC4H7NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Namedideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol
SMILES[2H]C([2H])(O)C1=NOCC1
InChIInChI=1S/C4H7NO2/c6-3-4-1-2-7-5-4/h6H,1-3H2/i3D2
InChIKeyAXXHZONWMAQUJM-SMZGMGDZSA-N
XLogP-0.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol?
The IUPAC name of dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol (CID 118553097) is dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol?
The canonical SMILES for dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol is [2H]C([2H])(O)C1=NOCC1.
What is the InChIKey of dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol?
The InChIKey is AXXHZONWMAQUJM-SMZGMGDZSA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-4-1-2-7-5-4/h6H,1-3H2/i3D2.
What are the key properties of dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol?
dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol has a molecular weight of 103.12 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio(4,5-dihydro-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 118553097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).