(1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine

C11H12BrN3O — CID 93259640

IUPAC(1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(Cc2ccc(Br)cc2)no1
InChIInChI=1S/C11H12BrN3O/c1-7(13)11-14-10(15-16-11)6-8-2-4-9(12)5-3-8/h2-5,7H,6,13H2,1H3/t7-/m1/s1
InChIKeyHJSTUYMNENDSKW-SSDOTTSWSA-N
MW282.14 g/mol
LogP2.44
Rot. Bonds3

About (1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine

(1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 93259640) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is (1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID93259640
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name(1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(Cc2ccc(Br)cc2)no1
InChIInChI=1S/C11H12BrN3O/c1-7(13)11-14-10(15-16-11)6-8-2-4-9(12)5-3-8/h2-5,7H,6,13H2,1H3/t7-/m1/s1
InChIKeyHJSTUYMNENDSKW-SSDOTTSWSA-N
XLogP2.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 43470432
(1S)-1-[3-[(3,4-dibromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 11792909
(1S)-1-[3-[(3-bromo-4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 10852915
3-amino-3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 61229704
[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 55108529
3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 63347742
ethyl 2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 79474742
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 103822484
3-[(4-bromophenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 23404141
1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 130762807
3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072267
(1R)-3-methyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 94400325

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 93259640) is (1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is C[C@@H](N)c1nc(Cc2ccc(Br)cc2)no1.
What is the InChIKey of (1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is HJSTUYMNENDSKW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-7(13)11-14-10(15-16-11)6-8-2-4-9(12)5-3-8/h2-5,7H,6,13H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 282.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 93259640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).