4,5-dihydro-1,2-oxazol-3-ylmethanol

C4H7NO2 — CID 69109362

IUPAC4,5-dihydro-1,2-oxazol-3-ylmethanol
SMILESOCC1=NOCC1
InChIInChI=1S/C4H7NO2/c6-3-4-1-2-7-5-4/h6H,1-3H2
InChIKeyAXXHZONWMAQUJM-UHFFFAOYSA-N
MW101.11 g/mol
LogP-0.25
Rot. Bonds1

About 4,5-dihydro-1,2-oxazol-3-ylmethanol

4,5-dihydro-1,2-oxazol-3-ylmethanol (PubChem CID 69109362) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is 4,5-dihydro-1,2-oxazol-3-ylmethanol.

Molecular Properties

Compound Name4,5-dihydro-1,2-oxazol-3-ylmethanol
PubChem CID69109362
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name4,5-dihydro-1,2-oxazol-3-ylmethanol
SMILESOCC1=NOCC1
InChIInChI=1S/C4H7NO2/c6-3-4-1-2-7-5-4/h6H,1-3H2
InChIKeyAXXHZONWMAQUJM-UHFFFAOYSA-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 ≤ 500101.11
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 4,5-dihydro-1,2-oxazol-3-ylmethanol?
The IUPAC name of 4,5-dihydro-1,2-oxazol-3-ylmethanol (CID 69109362) is 4,5-dihydro-1,2-oxazol-3-ylmethanol.
What is the SMILES notation for 4,5-dihydro-1,2-oxazol-3-ylmethanol?
The canonical SMILES for 4,5-dihydro-1,2-oxazol-3-ylmethanol is OCC1=NOCC1.
What is the InChIKey of 4,5-dihydro-1,2-oxazol-3-ylmethanol?
The InChIKey is AXXHZONWMAQUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-4-1-2-7-5-4/h6H,1-3H2.
What are the key properties of 4,5-dihydro-1,2-oxazol-3-ylmethanol?
4,5-dihydro-1,2-oxazol-3-ylmethanol has a molecular weight of 101.11 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 4,5-dihydro-1,2-oxazol-3-ylmethanol is sourced from PubChem (CID 69109362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).