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

C14H15BrN2O3 — CID 102948199

IUPAC1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H15BrN2O3/c1-8(18)11-5-4-10(15)6-12(11)19-7-13-16-14(20-17-13)9-2-3-9/h4-6,8-9,18H,2-3,7H2,1H3
InChIKeyHKHRDTOWGOIAEP-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.34
Rot. Bonds5

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

1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 102948199) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
PubChem CID102948199
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H15BrN2O3/c1-8(18)11-5-4-10(15)6-12(11)19-7-13-16-14(20-17-13)9-2-3-9/h4-6,8-9,18H,2-3,7H2,1H3
InChIKeyHKHRDTOWGOIAEP-UHFFFAOYSA-N
XLogP3.34
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 102946181
1-[4-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 102948276
(1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 102948548
2-[5-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495574
(1R)-1-[4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 102948726
1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
CID 61497144
(1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 102947252
N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045674
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1S)-1-[4-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 63650770
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid
CID 61497495
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol (CID 102948199) is 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol is CC(O)c1ccc(Br)cc1OCc1noc(C2CC2)n1.
What is the InChIKey of 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is HKHRDTOWGOIAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-8(18)11-5-4-10(15)6-12(11)19-7-13-16-14(20-17-13)9-2-3-9/h4-6,8-9,18H,2-3,7H2,1H3.
What are the key properties of 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol?
1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 339.19 g/mol, XLogP of 3.34, 5 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-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).