2-deuterio-4,5-dihydro-1,3-oxazole

C3H5NO — CID 175703506

IUPAC2-deuterio-4,5-dihydro-1,3-oxazole
SMILES[2H]C1=NCCO1
InChIInChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2/i3D
InChIKeyIMSODMZESSGVBE-WFVSFCRTSA-N
MW72.09 g/mol
LogP0.04
Rot. Bonds

About 2-deuterio-4,5-dihydro-1,3-oxazole

2-deuterio-4,5-dihydro-1,3-oxazole (PubChem CID 175703506) has the molecular formula C3H5NO and a molecular weight of 72.09 g/mol. Its IUPAC name is 2-deuterio-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-deuterio-4,5-dihydro-1,3-oxazole
PubChem CID175703506
Molecular FormulaC3H5NO
Molecular Weight72.09 g/mol
Exact Mass72.04
IUPAC Name2-deuterio-4,5-dihydro-1,3-oxazole
SMILES[2H]C1=NCCO1
InChIInChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2/i3D
InChIKeyIMSODMZESSGVBE-WFVSFCRTSA-N
XLogP0.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.09
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-deuterio-4,5-dihydro-1,3-oxazole (CID 175703506) is 2-deuterio-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-deuterio-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-deuterio-4,5-dihydro-1,3-oxazole is [2H]C1=NCCO1.
What is the InChIKey of 2-deuterio-4,5-dihydro-1,3-oxazole?
The InChIKey is IMSODMZESSGVBE-WFVSFCRTSA-N. The full InChI is InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2/i3D.
What are the key properties of 2-deuterio-4,5-dihydro-1,3-oxazole?
2-deuterio-4,5-dihydro-1,3-oxazole has a molecular weight of 72.09 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 175703506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).