N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine

C15H20BrN3O2 — CID 62393061

IUPACN-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Br)ccc1OCc1nc(C)no1
InChIInChI=1S/C15H20BrN3O2/c1-4-7-17-10(2)13-8-12(16)5-6-14(13)20-9-15-18-11(3)19-21-15/h5-6,8,10,17H,4,7,9H2,1-3H3
InChIKeyQXJPVSREUHDDAH-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.78
Rot. Bonds7

About N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine

N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine (PubChem CID 62393061) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
PubChem CID62393061
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Br)ccc1OCc1nc(C)no1
InChIInChI=1S/C15H20BrN3O2/c1-4-7-17-10(2)13-8-12(16)5-6-14(13)20-9-15-18-11(3)19-21-15/h5-6,8,10,17H,4,7,9H2,1-3H3
InChIKeyQXJPVSREUHDDAH-UHFFFAOYSA-N
XLogP3.78
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348
N-[1-(5-bromo-2-butoxyphenyl)ethyl]propan-1-amine
CID 63500692
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60882283
N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63057175
N-[1-[4-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 102947838
N-[1-[5-bromo-2-(3,3-dimethylbutoxy)phenyl]ethyl]propan-1-amine
CID 63500522
1-[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 62392990
3-[[4-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114491939
N-[1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
CID 64553534
1-[5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylethanamine
CID 62393198
1-[4-bromo-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 102947525
N-[1-[5-bromo-2-(oxan-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62386930

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine (CID 62393061) is N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine is CCCNC(C)c1cc(Br)ccc1OCc1nc(C)no1.
What is the InChIKey of N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
The InChIKey is QXJPVSREUHDDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-4-7-17-10(2)13-8-12(16)5-6-14(13)20-9-15-18-11(3)19-21-15/h5-6,8,10,17H,4,7,9H2,1-3H3.
What are the key properties of N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine has a molecular weight of 354.25 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 62393061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).