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

C14H16BrN3O2 — CID 102946181

IUPAC1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H16BrN3O2/c1-8(16)11-5-4-10(15)6-12(11)19-7-13-17-14(20-18-13)9-2-3-9/h4-6,8-9H,2-3,7,16H2,1H3
InChIKeyHBARHLJMYABPDN-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.31
Rot. Bonds5

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

1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 102946181) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID102946181
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H16BrN3O2/c1-8(16)11-5-4-10(15)6-12(11)19-7-13-17-14(20-18-13)9-2-3-9/h4-6,8-9H,2-3,7,16H2,1H3
InChIKeyHBARHLJMYABPDN-UHFFFAOYSA-N
XLogP3.31
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.31
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]ethanol
CID 102948199
(1S)-1-[4-bromo-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 102947252
1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
CID 61497144
2-[5-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495574
1-[5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 62370024
(1R)-1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 102946793
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 61495662
1-[4-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 102948276
(1S)-1-[4-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78935724
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640960
N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045674

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (CID 102946181) is 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine is CC(N)c1ccc(Br)cc1OCc1noc(C2CC2)n1.
What is the InChIKey of 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is HBARHLJMYABPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-8(16)11-5-4-10(15)6-12(11)19-7-13-17-14(20-18-13)9-2-3-9/h4-6,8-9H,2-3,7,16H2,1H3.
What are the key properties of 1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
1-[4-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 338.21 g/mol, XLogP of 3.31, 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]ethanamine is sourced from PubChem (CID 102946181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).