[2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol

C5H7NO3 — CID 18366283

IUPAC[2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(CO)n1
InChIInChI=1S/C5H7NO3/c7-1-4-3-9-5(2-8)6-4/h3,7-8H,1-2H2
InChIKeyXFHPBCYOUPGSSE-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.34
Rot. Bonds2

About [2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol

[2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol (PubChem CID 18366283) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is [2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol
PubChem CID18366283
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name[2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1coc(CO)n1
InChIInChI=1S/C5H7NO3/c7-1-4-3-9-5(2-8)6-4/h3,7-8H,1-2H2
InChIKeyXFHPBCYOUPGSSE-UHFFFAOYSA-N
XLogP-0.34
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol (CID 18366283) is [2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol is OCc1coc(CO)n1.
What is the InChIKey of [2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is XFHPBCYOUPGSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c7-1-4-3-9-5(2-8)6-4/h3,7-8H,1-2H2.
What are the key properties of [2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol?
[2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 129.11 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 18366283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).