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

C15H20BrN3O — CID 6625015

IUPACN-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C15H20BrN3O/c1-3-8-19(9-4-2)11-14-17-18-15(20-14)12-6-5-7-13(16)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyUOFWSBXLIOGMAU-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.12
Rot. Bonds7

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

N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine (PubChem CID 6625015) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
PubChem CID6625015
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C15H20BrN3O/c1-3-8-19(9-4-2)11-14-17-18-15(20-14)12-6-5-7-13(16)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyUOFWSBXLIOGMAU-UHFFFAOYSA-N
XLogP4.12
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-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

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine (CID 6625015) is N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine?
The InChIKey is UOFWSBXLIOGMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-3-8-19(9-4-2)11-14-17-18-15(20-14)12-6-5-7-13(16)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine?
N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 6625015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).