2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine

C15H18BrN3O — CID 63348066

IUPAC2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(Cc1nc(-c2cccc(Br)c2)no1)C1CC1
InChIInChI=1S/C15H18BrN3O/c1-2-17-13(10-6-7-10)9-14-18-15(19-20-14)11-4-3-5-12(16)8-11/h3-5,8,10,13,17H,2,6-7,9H2,1H3
InChIKeyYJXBUMVIRUWGHK-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.43
Rot. Bonds6

About 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine

2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine (PubChem CID 63348066) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
PubChem CID63348066
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(Cc1nc(-c2cccc(Br)c2)no1)C1CC1
InChIInChI=1S/C15H18BrN3O/c1-2-17-13(10-6-7-10)9-14-18-15(19-20-14)11-4-3-5-12(16)8-11/h3-5,8,10,13,17H,2,6-7,9H2,1H3
InChIKeyYJXBUMVIRUWGHK-UHFFFAOYSA-N
XLogP3.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63347026
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63347887
1-cyclopropyl-2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 107918247
1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347362
1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 63348646
1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63348390
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-1-(4-methoxyphenyl)methanamine
CID 112809029
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81073510
1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966853
3-(3-bromophenyl)-5-(iodomethyl)-1,2,4-oxadiazole
CID 64787760
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63349919
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348158

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine?
The IUPAC name of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine (CID 63348066) is 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine is CCNC(Cc1nc(-c2cccc(Br)c2)no1)C1CC1.
What is the InChIKey of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine?
The InChIKey is YJXBUMVIRUWGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-17-13(10-6-7-10)9-14-18-15(19-20-14)11-4-3-5-12(16)8-11/h3-5,8,10,13,17H,2,6-7,9H2,1H3.
What are the key properties of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine?
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 63348066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).