1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol

C11H10BrNO2 — CID 166596785

IUPAC1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2cccc(Br)c2)no1
InChIInChI=1S/C11H10BrNO2/c1-7(14)11-6-10(13-15-11)8-3-2-4-9(12)5-8/h2-7,14H,1H3
InChIKeyDXQZTCLFUJVJNG-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.16
Rot. Bonds2

About 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol

1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 166596785) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol
PubChem CID166596785
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2cccc(Br)c2)no1
InChIInChI=1S/C11H10BrNO2/c1-7(14)11-6-10(13-15-11)8-3-2-4-9(12)5-8/h2-7,14H,1H3
InChIKeyDXQZTCLFUJVJNG-UHFFFAOYSA-N
XLogP3.16
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,4-dibromophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596802
1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanol
CID 44605540
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160504
1-[3-(2-bromo-4-methylphenyl)-1,2-oxazol-5-yl]ethanol
CID 166596866
3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride
CID 82371429
1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol
CID 166761070
1-[3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596817
5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole
CID 139270190
5-(1-chloroethyl)-3-(3-methylphenyl)-1,2-oxazole
CID 134528371
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634751
2-(3-bromophenyl)-4-propan-2-ylpyridine
CID 118651864
3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide
CID 167980380

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol (CID 166596785) is 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol is CC(O)c1cc(-c2cccc(Br)c2)no1.
What is the InChIKey of 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is DXQZTCLFUJVJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-7(14)11-6-10(13-15-11)8-3-2-4-9(12)5-8/h2-7,14H,1H3.
What are the key properties of 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol?
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 268.11 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 166596785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).