4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide

C22H24ClN3O2 — CID 55670564

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide
SMILESCCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1cc(C)ccc1C
InChIInChI=1S/C22H24ClN3O2/c1-4-26(19-14-15(2)8-9-16(19)3)21(27)7-5-6-20-24-22(25-28-20)17-10-12-18(23)13-11-17/h8-14H,4-7H2,1-3H3
InChIKeyYLVFWPOSFWVBSH-UHFFFAOYSA-N
MW397.91 g/mol
LogP5.38
Rot. Bonds7

About 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide (PubChem CID 55670564) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide
PubChem CID55670564
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide
SMILESCCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1cc(C)ccc1C
InChIInChI=1S/C22H24ClN3O2/c1-4-26(19-14-15(2)8-9-16(19)3)21(27)7-5-6-20-24-22(25-28-20)17-10-12-18(23)13-11-17/h8-14H,4-7H2,1-3H3
InChIKeyYLVFWPOSFWVBSH-UHFFFAOYSA-N
XLogP5.38
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide 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

5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 86833646
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide
CID 9183218
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenyl)acetamide
CID 8874831
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46588539
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 50759805
N-(3-aminobutyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119495720
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 22431073
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenylbutanamide
CID 8874898
N-[(2S)-1-aminopropan-2-yl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
CID 120507694
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-[(2,4-dimethylphenyl)methyl]-2-methylguanidine
CID 111554859

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide (CID 55670564) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide is CCN(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)c1cc(C)ccc1C.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide?
The InChIKey is YLVFWPOSFWVBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-4-26(19-14-15(2)8-9-16(19)3)21(27)7-5-6-20-24-22(25-28-20)17-10-12-18(23)13-11-17/h8-14H,4-7H2,1-3H3.
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide has a molecular weight of 397.91 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide is sourced from PubChem (CID 55670564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).