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

C4H7NO2 — CID 70653641

IUPAC2,3-dihydro-1,3-oxazol-4-ylmethanol
SMILESOCC1=COCN1
InChIInChI=1S/C4H7NO2/c6-1-4-2-7-3-5-4/h2,5-6H,1,3H2
InChIKeyIBHHQHAPBJVXGB-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.60
Rot. Bonds1

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

2,3-dihydro-1,3-oxazol-4-ylmethanol (PubChem CID 70653641) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is 2,3-dihydro-1,3-oxazol-4-ylmethanol.

Molecular Properties

Compound Name2,3-dihydro-1,3-oxazol-4-ylmethanol
PubChem CID70653641
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name2,3-dihydro-1,3-oxazol-4-ylmethanol
SMILESOCC1=COCN1
InChIInChI=1S/C4H7NO2/c6-1-4-2-7-3-5-4/h2,5-6H,1,3H2
InChIKeyIBHHQHAPBJVXGB-UHFFFAOYSA-N
XLogP-0.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-oxazol-4-ylmethanol?
The IUPAC name of 2,3-dihydro-1,3-oxazol-4-ylmethanol (CID 70653641) is 2,3-dihydro-1,3-oxazol-4-ylmethanol.
What is the SMILES notation for 2,3-dihydro-1,3-oxazol-4-ylmethanol?
The canonical SMILES for 2,3-dihydro-1,3-oxazol-4-ylmethanol is OCC1=COCN1.
What is the InChIKey of 2,3-dihydro-1,3-oxazol-4-ylmethanol?
The InChIKey is IBHHQHAPBJVXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-1-4-2-7-3-5-4/h2,5-6H,1,3H2.
What are the key properties of 2,3-dihydro-1,3-oxazol-4-ylmethanol?
2,3-dihydro-1,3-oxazol-4-ylmethanol has a molecular weight of 101.10 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-oxazol-4-ylmethanol is sourced from PubChem (CID 70653641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).