[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol

C11H11BrFNO3 — CID 58653769

IUPAC[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)CC(c2ccc(Br)c(F)c2)=NO1
InChIInChI=1S/C11H11BrFNO3/c12-8-2-1-7(3-9(8)13)10-4-11(5-15,6-16)17-14-10/h1-3,15-16H,4-6H2
InChIKeyQPXDQUKPKMOQMA-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.44
Rot. Bonds3

About [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol

[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol (PubChem CID 58653769) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol
PubChem CID58653769
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Name[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)CC(c2ccc(Br)c(F)c2)=NO1
InChIInChI=1S/C11H11BrFNO3/c12-8-2-1-7(3-9(8)13)10-4-11(5-15,6-16)17-14-10/h1-3,15-16H,4-6H2
InChIKeyQPXDQUKPKMOQMA-UHFFFAOYSA-N
XLogP1.44
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-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-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol (CID 58653769) is [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol is OCC1(CO)CC(c2ccc(Br)c(F)c2)=NO1.
What is the InChIKey of [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol?
The InChIKey is QPXDQUKPKMOQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c12-8-2-1-7(3-9(8)13)10-4-11(5-15,6-16)17-14-10/h1-3,15-16H,4-6H2.
What are the key properties of [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol?
[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol has a molecular weight of 304.12 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 58653769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).