1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C13H16BrN3O — CID 63350731

IUPAC1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(-c2ccccc2Br)no1
InChIInChI=1S/C13H16BrN3O/c1-2-5-9(15)8-12-16-13(17-18-12)10-6-3-4-7-11(10)14/h3-4,6-7,9H,2,5,8,15H2,1H3
InChIKeyZMOSZBKDOLCOED-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.17
Rot. Bonds5

About 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63350731) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63350731
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(-c2ccccc2Br)no1
InChIInChI=1S/C13H16BrN3O/c1-2-5-9(15)8-12-16-13(17-18-12)10-6-3-4-7-11(10)14/h3-4,6-7,9H,2,5,8,15H2,1H3
InChIKeyZMOSZBKDOLCOED-UHFFFAOYSA-N
XLogP3.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350773
1-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107280243
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 55202022
1-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 66144503
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63350551
1-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 136984384
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63348432
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-methylethanamine
CID 63350689
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008092
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107917796
(2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
CID 166272061

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63350731) is 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(N)Cc1nc(-c2ccccc2Br)no1.
What is the InChIKey of 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is ZMOSZBKDOLCOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-2-5-9(15)8-12-16-13(17-18-12)10-6-3-4-7-11(10)14/h3-4,6-7,9H,2,5,8,15H2,1H3.
What are the key properties of 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 310.19 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63350731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).