4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

C19H18BrN3O2 — CID 8835920

IUPAC4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O2/c1-3-23(19(24)15-8-10-16(20)11-9-15)12-17-21-18(22-25-17)14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3
InChIKeyRYMBGHFPWHPKEE-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.47
Rot. Bonds5

About 4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 8835920) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID8835920
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O2/c1-3-23(19(24)15-8-10-16(20)11-9-15)12-17-21-18(22-25-17)14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3
InChIKeyRYMBGHFPWHPKEE-UHFFFAOYSA-N
XLogP4.47
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide 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

4-tert-butyl-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835712
N-ethyl-3,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875273
N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 7708621
N-ethyl-2,5-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-imidazole-4-carboxamide
CID 131945720
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 83277431
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propoxybenzamide
CID 8778966
2-(aminomethyl)-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 154912011
2-chloro-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzamide
CID 8874447
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenyl)acetamide
CID 8874831
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-methoxybenzamide
CID 6494677
N-ethyl-2-(4-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8836273
N-ethyl-1-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxopyrimidine-5-carboxamide
CID 91769806

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 8835920) is 4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is RYMBGHFPWHPKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-3-23(19(24)15-8-10-16(20)11-9-15)12-17-21-18(22-25-17)14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 400.28 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 8835920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).