1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine

C13H16BrN3O — CID 106395858

IUPAC1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1ncon1)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3O/c1-2-12(10-4-3-5-11(14)8-10)15-7-6-13-16-9-18-17-13/h3-5,8-9,12,15H,2,6-7H2,1H3
InChIKeyMEDKQXKNERGYAC-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.12
Rot. Bonds6

About 1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine

1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (PubChem CID 106395858) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
PubChem CID106395858
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1ncon1)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3O/c1-2-12(10-4-3-5-11(14)8-10)15-7-6-13-16-9-18-17-13/h3-5,8-9,12,15H,2,6-7H2,1H3
InChIKeyMEDKQXKNERGYAC-UHFFFAOYSA-N
XLogP3.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395346
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
1-(3-bromophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 64547333
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395927
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 106395347
1-(3-bromophenyl)-N-(2-ethylsulfinylethyl)propan-1-amine
CID 115718977
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682
1-(3-bromophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 63455209
N-[1-(3-bromophenyl)propyl]but-2-yn-1-amine
CID 115897043
1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282183
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (CID 106395858) is 1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is CCC(NCCc1ncon1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The InChIKey is MEDKQXKNERGYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-2-12(10-4-3-5-11(14)8-10)15-7-6-13-16-9-18-17-13/h3-5,8-9,12,15H,2,6-7H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine has a molecular weight of 310.19 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106395858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).