N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide

C19H17BrFN3O3 — CID 55906165

IUPACN-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccc(Br)cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H17BrFN3O3/c1-26-16-10-7-13(20)11-15(16)22-17(25)3-2-4-18-23-19(24-27-18)12-5-8-14(21)9-6-12/h5-11H,2-4H2,1H3,(H,22,25)
InChIKeyVFODNVAYXNTHPU-UHFFFAOYSA-N
MW434.27 g/mol
LogP4.61
Rot. Bonds7

About N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide

N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 55906165) has the molecular formula C19H17BrFN3O3 and a molecular weight of 434.27 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID55906165
Molecular FormulaC19H17BrFN3O3
Molecular Weight434.27 g/mol
Exact Mass433.04
IUPAC NameN-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccc(Br)cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H17BrFN3O3/c1-26-16-10-7-13(20)11-15(16)22-17(25)3-2-4-18-23-19(24-27-18)12-5-8-14(21)9-6-12/h5-11H,2-4H2,1H3,(H,22,25)
InChIKeyVFODNVAYXNTHPU-UHFFFAOYSA-N
XLogP4.61
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide 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-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
4-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)butanamide
CID 2985774
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 38905539
(4-bromo-2-chlorophenyl) 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 38901100
N-(5-bromo-2-methoxyphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55906686
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide
CID 55684471
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)butanamide
CID 46263765
N-(5-acetamido-2-methylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46454649
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxyphenyl)butanamide
CID 46263763
methyl 4-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoate
CID 39704791
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 55906165) is N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is COc1ccc(Br)cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is VFODNVAYXNTHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O3/c1-26-16-10-7-13(20)11-15(16)22-17(25)3-2-4-18-23-19(24-27-18)12-5-8-14(21)9-6-12/h5-11H,2-4H2,1H3,(H,22,25).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 434.27 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 55906165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).