3H-1,2-oxazol-2-ylmethanol

C4H7NO2 — CID 22008854

IUPAC3H-1,2-oxazol-2-ylmethanol
SMILESOCN1CC=CO1
InChIInChI=1S/C4H7NO2/c6-4-5-2-1-3-7-5/h1,3,6H,2,4H2
InChIKeyANJGDONBOPHIRK-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.30
Rot. Bonds1

About 3H-1,2-oxazol-2-ylmethanol

3H-1,2-oxazol-2-ylmethanol (PubChem CID 22008854) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is 3H-1,2-oxazol-2-ylmethanol.

Molecular Properties

Compound Name3H-1,2-oxazol-2-ylmethanol
PubChem CID22008854
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name3H-1,2-oxazol-2-ylmethanol
SMILESOCN1CC=CO1
InChIInChI=1S/C4H7NO2/c6-4-5-2-1-3-7-5/h1,3,6H,2,4H2
InChIKeyANJGDONBOPHIRK-UHFFFAOYSA-N
XLogP-0.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-1,2-oxazol-2-ylmethanol?
The IUPAC name of 3H-1,2-oxazol-2-ylmethanol (CID 22008854) is 3H-1,2-oxazol-2-ylmethanol.
What is the SMILES notation for 3H-1,2-oxazol-2-ylmethanol?
The canonical SMILES for 3H-1,2-oxazol-2-ylmethanol is OCN1CC=CO1.
What is the InChIKey of 3H-1,2-oxazol-2-ylmethanol?
The InChIKey is ANJGDONBOPHIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-4-5-2-1-3-7-5/h1,3,6H,2,4H2.
What are the key properties of 3H-1,2-oxazol-2-ylmethanol?
3H-1,2-oxazol-2-ylmethanol has a molecular weight of 101.10 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1,2-oxazol-2-ylmethanol is sourced from PubChem (CID 22008854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).