1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine

C15H19BrFN3O — CID 86869567

IUPAC1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1nnc(C(C)(C)C)o1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFN3O/c1-15(2,3)14-19-18-13(21-14)9-20(4)8-10-7-11(16)5-6-12(10)17/h5-7H,8-9H2,1-4H3
InChIKeyRJSFASZDXOHFKZ-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.90
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine

1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine (PubChem CID 86869567) has the molecular formula C15H19BrFN3O and a molecular weight of 356.24 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine
PubChem CID86869567
Molecular FormulaC15H19BrFN3O
Molecular Weight356.24 g/mol
Exact Mass355.07
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1nnc(C(C)(C)C)o1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFN3O/c1-15(2,3)14-19-18-13(21-14)9-20(4)8-10-7-11(16)5-6-12(10)17/h5-7H,8-9H2,1-4H3
InChIKeyRJSFASZDXOHFKZ-UHFFFAOYSA-N
XLogP3.90
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine 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-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine (CID 86869567) is 1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine is CN(Cc1nnc(C(C)(C)C)o1)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine?
The InChIKey is RJSFASZDXOHFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3O/c1-15(2,3)14-19-18-13(21-14)9-20(4)8-10-7-11(16)5-6-12(10)17/h5-7H,8-9H2,1-4H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine?
1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine has a molecular weight of 356.24 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 86869567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).