3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine

C15H18BrN3O — CID 106704291

IUPAC3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCc1nc(CCNC2CC(c3cccc(Br)c3)C2)no1
InChIInChI=1S/C15H18BrN3O/c1-10-18-15(19-20-10)5-6-17-14-8-12(9-14)11-3-2-4-13(16)7-11/h2-4,7,12,14,17H,5-6,8-9H2,1H3
InChIKeyAFGWCOHTBMPVCH-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.22
Rot. Bonds5

About 3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine

3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine (PubChem CID 106704291) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
PubChem CID106704291
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCc1nc(CCNC2CC(c3cccc(Br)c3)C2)no1
InChIInChI=1S/C15H18BrN3O/c1-10-18-15(19-20-10)5-6-17-14-8-12(9-14)11-3-2-4-13(16)7-11/h2-4,7,12,14,17H,5-6,8-9H2,1H3
InChIKeyAFGWCOHTBMPVCH-UHFFFAOYSA-N
XLogP3.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine with MolForge

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Related Compounds

1-(4-bromophenyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]cyclobutan-1-amine
CID 53566237
N-[3-(4-bromophenyl)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclohexa-2,4-dien-1-amine
CID 146265124
(3-Bromo-4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559246
(5-Bromo-2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559248
1-(3-Bromo-4-fluorophenyl)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559376
(5-Bromo-2-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559378
(3-Bromo-4-fluorophenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559622
(5-Bromo-2-fluorophenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559623
(3-Bromo-4-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559851
(5-Bromo-2-fluorophenyl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559852
1-(3-bromo-4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 54903077
3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 66423321

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine (CID 106704291) is 3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine is Cc1nc(CCNC2CC(c3cccc(Br)c3)C2)no1.
What is the InChIKey of 3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine?
The InChIKey is AFGWCOHTBMPVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10-18-15(19-20-10)5-6-17-14-8-12(9-14)11-3-2-4-13(16)7-11/h2-4,7,12,14,17H,5-6,8-9H2,1H3.
What are the key properties of 3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine?
3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine has a molecular weight of 336.23 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 106704291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).