[(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol

C10H10BrNO2 — CID 57282287

IUPAC[(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOC[C@H]1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C10H10BrNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,9,12-13H,6H2/t9-/m1/s1
InChIKeyCAWNXRZKTRNNJY-SECBINFHSA-N
MW256.10 g/mol
LogP1.69
Rot. Bonds2

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

[(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 57282287) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is [(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID57282287
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name[(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOC[C@H]1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C10H10BrNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,9,12-13H,6H2/t9-/m1/s1
InChIKeyCAWNXRZKTRNNJY-SECBINFHSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(hydroxymethyl)-2H-1,2-oxazol-5-yl]methanol
CID 91355065
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91595047
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-oxazol-5-yl]methyl methanesulfonate
CID 57159829

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (CID 57282287) is [(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is OC[C@H]1C=C(c2ccc(Br)cc2)NO1.
What is the InChIKey of [(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is CAWNXRZKTRNNJY-SECBINFHSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,9,12-13H,6H2/t9-/m1/s1.
What are the key properties of [(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
[(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 256.10 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 57282287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).