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

C14H18BrN3O2 — CID 60908429

IUPAC1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCCc1noc(COc2ccc(Br)cc2CC(C)N)n1
InChIInChI=1S/C14H18BrN3O2/c1-3-13-17-14(20-18-13)8-19-12-5-4-11(15)7-10(12)6-9(2)16/h4-5,7,9H,3,6,8,16H2,1-2H3
InChIKeyACVGCVWXMBEQSH-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.86
Rot. Bonds6

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

1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine (PubChem CID 60908429) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
PubChem CID60908429
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCCc1noc(COc2ccc(Br)cc2CC(C)N)n1
InChIInChI=1S/C14H18BrN3O2/c1-3-13-17-14(20-18-13)8-19-12-5-4-11(15)7-10(12)6-9(2)16/h4-5,7,9H,3,6,8,16H2,1-2H3
InChIKeyACVGCVWXMBEQSH-UHFFFAOYSA-N
XLogP2.86
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine (CID 60908429) is 1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine is CCc1noc(COc2ccc(Br)cc2CC(C)N)n1.
What is the InChIKey of 1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is ACVGCVWXMBEQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-3-13-17-14(20-18-13)8-19-12-5-4-11(15)7-10(12)6-9(2)16/h4-5,7,9H,3,6,8,16H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 340.22 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 60908429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).