4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide

C19H18ClN3O2S — CID 38739993

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide
SMILESCSc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-26-16-11-9-15(10-12-16)21-17(24)3-2-4-18-22-19(23-25-18)13-5-7-14(20)8-6-13/h5-12H,2-4H2,1H3,(H,21,24)
InChIKeyITZICEVWLDWADW-UHFFFAOYSA-N
MW387.89 g/mol
LogP5.07
Rot. Bonds7

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

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide (PubChem CID 38739993) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide
PubChem CID38739993
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide
SMILESCSc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-26-16-11-9-15(10-12-16)21-17(24)3-2-4-18-22-19(23-25-18)13-5-7-14(20)8-6-13/h5-12H,2-4H2,1H3,(H,21,24)
InChIKeyITZICEVWLDWADW-UHFFFAOYSA-N
XLogP5.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.89
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)propanamide
CID 9180330
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodophenyl)butanamide
CID 39892599
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluoro-3-nitrophenyl)butanamide
CID 38701413
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41466780
N-(4-chlorophenyl)-4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3161763
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide (CID 38739993) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide is CSc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide?
The InChIKey is ITZICEVWLDWADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-26-16-11-9-15(10-12-16)21-17(24)3-2-4-18-22-19(23-25-18)13-5-7-14(20)8-6-13/h5-12H,2-4H2,1H3,(H,21,24).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide has a molecular weight of 387.89 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 38739993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).