N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide

C21H30BrN3O2 — CID 55881199

IUPACN-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide
SMILESCCCN(C(=O)CCCc1nc(C(C)(C)C)no1)C(C)c1ccccc1Br
InChIInChI=1S/C21H30BrN3O2/c1-6-14-25(15(2)16-10-7-8-11-17(16)22)19(26)13-9-12-18-23-20(24-27-18)21(3,4)5/h7-8,10-11,15H,6,9,12-14H2,1-5H3
InChIKeySKHWHYIOGWTECZ-UHFFFAOYSA-N
MW436.39 g/mol
LogP5.45
Rot. Bonds8

About N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide

N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide (PubChem CID 55881199) has the molecular formula C21H30BrN3O2 and a molecular weight of 436.39 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide
PubChem CID55881199
Molecular FormulaC21H30BrN3O2
Molecular Weight436.39 g/mol
Exact Mass435.15
IUPAC NameN-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide
SMILESCCCN(C(=O)CCCc1nc(C(C)(C)C)no1)C(C)c1ccccc1Br
InChIInChI=1S/C21H30BrN3O2/c1-6-14-25(15(2)16-10-7-8-11-17(16)22)19(26)13-9-12-18-23-20(24-27-18)21(3,4)5/h7-8,10-11,15H,6,9,12-14H2,1-5H3
InChIKeySKHWHYIOGWTECZ-UHFFFAOYSA-N
XLogP5.45
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.39
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide 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-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide (CID 55881199) is N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide is CCCN(C(=O)CCCc1nc(C(C)(C)C)no1)C(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide?
The InChIKey is SKHWHYIOGWTECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30BrN3O2/c1-6-14-25(15(2)16-10-7-8-11-17(16)22)19(26)13-9-12-18-23-20(24-27-18)21(3,4)5/h7-8,10-11,15H,6,9,12-14H2,1-5H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide?
N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide has a molecular weight of 436.39 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide is sourced from PubChem (CID 55881199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).