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

C10H9BrFNO2 — CID 58653821

IUPAC[3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1CC(c2ccc(Br)cc2F)=NO1
InChIInChI=1S/C10H9BrFNO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)15-13-10/h1-3,7,14H,4-5H2
InChIKeyBZVDQHUFQYJKCB-UHFFFAOYSA-N
MW274.09 g/mol
LogP2.07
Rot. Bonds2

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

[3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 58653821) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID58653821
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name[3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1CC(c2ccc(Br)cc2F)=NO1
InChIInChI=1S/C10H9BrFNO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)15-13-10/h1-3,7,14H,4-5H2
InChIKeyBZVDQHUFQYJKCB-UHFFFAOYSA-N
XLogP2.07
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 58653821) is [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is OCC1CC(c2ccc(Br)cc2F)=NO1.
What is the InChIKey of [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is BZVDQHUFQYJKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)15-13-10/h1-3,7,14H,4-5H2.
What are the key properties of [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 274.09 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 58653821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).