(1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol

C11H10BrNO2S — CID 106926854

IUPAC(1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2ncco2)c(Br)c1
InChIInChI=1S/C11H10BrNO2S/c1-7(14)8-2-3-10(9(12)6-8)16-11-13-4-5-15-11/h2-7,14H,1H3/t7-/m1/s1
InChIKeyOXGXCJMZOYIJOH-SSDOTTSWSA-N
MW300.18 g/mol
LogP3.64
Rot. Bonds3

About (1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol

(1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol (PubChem CID 106926854) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol
PubChem CID106926854
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC Name(1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2ncco2)c(Br)c1
InChIInChI=1S/C11H10BrNO2S/c1-7(14)8-2-3-10(9(12)6-8)16-11-13-4-5-15-11/h2-7,14H,1H3/t7-/m1/s1
InChIKeyOXGXCJMZOYIJOH-SSDOTTSWSA-N
XLogP3.64
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(1S)-1-(3-bromo-4-pyrimidin-4-ylsulfanylphenyl)ethanol
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2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 106924193
(1S)-1-[3-bromo-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
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1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol
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(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 78951403
1-[3-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 106923151
1-(3-bromo-4-ethylsulfanylphenyl)ethanol
CID 63813802
1-[3-bromo-4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
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(1R)-1-[3-bromo-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951532
3-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]sulfanylbutan-2-ol
CID 107772323

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol (CID 106926854) is (1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol is C[C@@H](O)c1ccc(Sc2ncco2)c(Br)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol?
The InChIKey is OXGXCJMZOYIJOH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10BrNO2S/c1-7(14)8-2-3-10(9(12)6-8)16-11-13-4-5-15-11/h2-7,14H,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol?
(1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol has a molecular weight of 300.18 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 106926854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).