[3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol

C8H12N2O5 — CID 141077402

IUPAC[3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1CC(OC2=NOC(CO)C2)=NO1
InChIInChI=1S/C8H12N2O5/c11-3-5-1-7(9-14-5)13-8-2-6(4-12)15-10-8/h5-6,11-12H,1-4H2
InChIKeyVHHMEWZFEXGWJG-UHFFFAOYSA-N
MW216.19 g/mol
LogP-0.81
Rot. Bonds2

About [3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol

[3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 141077402) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is [3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID141077402
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name[3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1CC(OC2=NOC(CO)C2)=NO1
InChIInChI=1S/C8H12N2O5/c11-3-5-1-7(9-14-5)13-8-2-6(4-12)15-10-8/h5-6,11-12H,1-4H2
InChIKeyVHHMEWZFEXGWJG-UHFFFAOYSA-N
XLogP-0.81
TPSA92.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 141077402) is [3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol is OCC1CC(OC2=NOC(CO)C2)=NO1.
What is the InChIKey of [3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is VHHMEWZFEXGWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c11-3-5-1-7(9-14-5)13-8-2-6(4-12)15-10-8/h5-6,11-12H,1-4H2.
What are the key properties of [3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 216.19 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 141077402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).