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

C15H12BrN3O — CID 93025431

IUPAC(R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESN[C@H](c1ccccc1)c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C15H12BrN3O/c16-12-8-4-7-11(9-12)14-18-15(20-19-14)13(17)10-5-2-1-3-6-10/h1-9,13H,17H2/t13-/m1/s1
InChIKeyBNWMONGDHVIVPX-CYBMUJFWSA-N
MW330.19 g/mol
LogP3.55
Rot. Bonds3

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

(R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 93025431) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is (R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name(R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID93025431
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name(R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESN[C@H](c1ccccc1)c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C15H12BrN3O/c16-12-8-4-7-11(9-12)14-18-15(20-19-14)13(17)10-5-2-1-3-6-10/h1-9,13H,17H2/t13-/m1/s1
InChIKeyBNWMONGDHVIVPX-CYBMUJFWSA-N
XLogP3.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 66425589
4-[5-[amino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888836
(S)-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832497
(1R)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832392
2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66167316
(1S)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057410
(R)-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 29288002
(S)-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832620
(1R)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 93025437
1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 43150823
(R)-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 106847418
3-(3-bromophenyl)-5-[(1S)-1-phenoxypropyl]-1,2,4-oxadiazole
CID 8895480

Frequently Asked Questions

What is the IUPAC name of (R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of (R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 93025431) is (R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for (R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for (R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is N[C@H](c1ccccc1)c1nc(-c2cccc(Br)c2)no1.
What is the InChIKey of (R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is BNWMONGDHVIVPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-12-8-4-7-11(9-12)14-18-15(20-19-14)13(17)10-5-2-1-3-6-10/h1-9,13H,17H2/t13-/m1/s1.
What are the key properties of (R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
(R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 330.19 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 93025431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).