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

C10H9BrFNO2 — CID 91216467

IUPAC[3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(Br)cc2F)NO1
InChIInChI=1S/C10H9BrFNO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)15-13-10/h1-4,7,13-14H,5H2
InChIKeyAZXRAUHUXQKIIQ-UHFFFAOYSA-N
MW274.09 g/mol
LogP1.82
Rot. Bonds2

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

[3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 91216467) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID91216467
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name[3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(Br)cc2F)NO1
InChIInChI=1S/C10H9BrFNO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)15-13-10/h1-4,7,13-14H,5H2
InChIKeyAZXRAUHUXQKIIQ-UHFFFAOYSA-N
XLogP1.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
5-(Azidomethyl)-3-(4-bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91019015
[3-(3-Fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91060512
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91127610
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 91278612
[3-(4-Bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 91286505
[3-(4-Bromo-3-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 91287687
[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 91355065
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91595047
(3-Phenyl-2,5-dihydro-1,2-oxazol-5-yl)methanol
CID 54227131
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56982022

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (CID 91216467) is [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is OCC1C=C(c2ccc(Br)cc2F)NO1.
What is the InChIKey of [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is AZXRAUHUXQKIIQ-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/h1-4,7,13-14H,5H2.
What are the key properties of [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 274.09 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 91216467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).