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

C11H12BrNO3 — CID 90977021

IUPAC[3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C11H12BrNO3/c12-9-3-1-8(2-4-9)10-5-11(6-14,7-15)16-13-10/h1-5,13-15H,6-7H2
InChIKeyWEGSEMWGAWHPOB-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.05
Rot. Bonds3

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

[3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol (PubChem CID 90977021) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is [3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
PubChem CID90977021
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name[3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C11H12BrNO3/c12-9-3-1-8(2-4-9)10-5-11(6-14,7-15)16-13-10/h1-5,13-15H,6-7H2
InChIKeyWEGSEMWGAWHPOB-UHFFFAOYSA-N
XLogP1.05
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.05
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-(4-Bromo-2-fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91216467
[3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 91355065
2-[1-(4-Bromophenyl)ethenylamino]oxyacetic acid
CID 1849698
(5-methyl-3-phenyl-2H-1,2-oxazol-5-yl)methanol
CID 53877652
(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
3-(2-Bromophenyl)-2,5-dihydro-1,2-oxazole
CID 57022367
3-(3-Bromophenyl)-2,5-dihydro-1,2-oxazole
CID 57092526
3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57164117
3-(3-Bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57276634
[(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 57282287

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol (CID 90977021) is [3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol is OCC1(CO)C=C(c2ccc(Br)cc2)NO1.
What is the InChIKey of [3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
The InChIKey is WEGSEMWGAWHPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c12-9-3-1-8(2-4-9)10-5-11(6-14,7-15)16-13-10/h1-5,13-15H,6-7H2.
What are the key properties of [3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol?
[3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol has a molecular weight of 286.12 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-5-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 90977021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).