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

C12H13BrN2O3 — CID 102948491

IUPAC1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
SMILESCc1nnc(COc2cc(Br)ccc2C(C)O)o1
InChIInChI=1S/C12H13BrN2O3/c1-7(16)10-4-3-9(13)5-11(10)17-6-12-15-14-8(2)18-12/h3-5,7,16H,6H2,1-2H3
InChIKeyMLMVORMYQDARTD-UHFFFAOYSA-N
MW313.15 g/mol
LogP2.77
Rot. Bonds4

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

1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (PubChem CID 102948491) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
PubChem CID102948491
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
SMILESCc1nnc(COc2cc(Br)ccc2C(C)O)o1
InChIInChI=1S/C12H13BrN2O3/c1-7(16)10-4-3-9(13)5-11(10)17-6-12-15-14-8(2)18-12/h3-5,7,16H,6H2,1-2H3
InChIKeyMLMVORMYQDARTD-UHFFFAOYSA-N
XLogP2.77
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1S)-1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 78931134
1-[4-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 102948495
1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
CID 54929392
(1R)-1-[4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 102948726
(1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 107720562
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
(1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 102948548
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
1-[4-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 102948276

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol (CID 102948491) is 1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol is Cc1nnc(COc2cc(Br)ccc2C(C)O)o1.
What is the InChIKey of 1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
The InChIKey is MLMVORMYQDARTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c1-7(16)10-4-3-9(13)5-11(10)17-6-12-15-14-8(2)18-12/h3-5,7,16H,6H2,1-2H3.
What are the key properties of 1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol?
1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol has a molecular weight of 313.15 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).