[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol

C8H11NO3 — CID 45099358

IUPAC[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(C2CCOC2)no1
InChIInChI=1S/C8H11NO3/c10-4-7-3-8(9-12-7)6-1-2-11-5-6/h3,6,10H,1-2,4-5H2
InChIKeyNGGNYSKGBUYBQU-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.67
Rot. Bonds2

About [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol

[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol (PubChem CID 45099358) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol
PubChem CID45099358
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(C2CCOC2)no1
InChIInChI=1S/C8H11NO3/c10-4-7-3-8(9-12-7)6-1-2-11-5-6/h3,6,10H,1-2,4-5H2
InChIKeyNGGNYSKGBUYBQU-UHFFFAOYSA-N
XLogP0.67
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol (CID 45099358) is [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol is OCc1cc(C2CCOC2)no1.
What is the InChIKey of [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol?
The InChIKey is NGGNYSKGBUYBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-4-7-3-8(9-12-7)6-1-2-11-5-6/h3,6,10H,1-2,4-5H2.
What are the key properties of [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol?
[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol has a molecular weight of 169.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-3-yl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 45099358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).