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

C11H11BrFNO3 — CID 91355065

IUPAC[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)C=C(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/h1-4,14-16H,5-6H2
InChIKeyLNRJFBRASLKLTK-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.19
Rot. Bonds3

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

[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol (PubChem CID 91355065) 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)-2H-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
PubChem CID91355065
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Name[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)C=C(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/h1-4,14-16H,5-6H2
InChIKeyLNRJFBRASLKLTK-UHFFFAOYSA-N
XLogP1.19
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[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-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91216467
[3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 91235179
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91595047
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56982022
3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57164117
[(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 57282287
3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazole
CID 90891793
[3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 90977021

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol (CID 91355065) is [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol is OCC1(CO)C=C(c2ccc(Br)c(F)c2)NO1.
What is the InChIKey of [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The InChIKey is LNRJFBRASLKLTK-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/h1-4,14-16H,5-6H2.
What are the key properties of [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol has a molecular weight of 304.12 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 91355065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).