(1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol

C13H15BrN2O3 — CID 102948548

IUPAC(1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1noc(COc2cc(Br)ccc2[C@@H](C)O)n1
InChIInChI=1S/C13H15BrN2O3/c1-3-12-15-13(19-16-12)7-18-11-6-9(14)4-5-10(11)8(2)17/h4-6,8,17H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyGWHMZGRCCOFCFR-MRVPVSSYSA-N
MW327.18 g/mol
LogP3.03
Rot. Bonds5

About (1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol

(1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 102948548) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
PubChem CID102948548
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name(1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1noc(COc2cc(Br)ccc2[C@@H](C)O)n1
InChIInChI=1S/C13H15BrN2O3/c1-3-12-15-13(19-16-12)7-18-11-6-9(14)4-5-10(11)8(2)17/h4-6,8,17H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyGWHMZGRCCOFCFR-MRVPVSSYSA-N
XLogP3.03
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol with MolForge

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Related Compounds

(1S)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001713
1-[4-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 102948276
1-[4-bromo-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 102947525
1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60908429
(1S)-1-[4-methoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 82002744
(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 55188832
1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 102948199
(1R)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001505
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methylphenyl]ethanamine
CID 63639421
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1R)-1-[4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 102948726
1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 102948491

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol (CID 102948548) is (1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol is CCc1noc(COc2cc(Br)ccc2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is GWHMZGRCCOFCFR-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-3-12-15-13(19-16-12)7-18-11-6-9(14)4-5-10(11)8(2)17/h4-6,8,17H,3,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol?
(1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 327.18 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).