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

C18H16ClN3O2 — CID 17101498

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1
InChIInChI=1S/C18H16ClN3O2/c19-14-11-9-13(10-12-14)18-21-17(24-22-18)8-4-7-16(23)20-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8H2,(H,20,23)
InChIKeyMRAZVVDGKKNVKD-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.35
Rot. Bonds6

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

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide (PubChem CID 17101498) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
PubChem CID17101498
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1
InChIInChI=1S/C18H16ClN3O2/c19-14-11-9-13(10-12-14)18-21-17(24-22-18)8-4-7-16(23)20-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8H2,(H,20,23)
InChIKeyMRAZVVDGKKNVKD-UHFFFAOYSA-N
XLogP4.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide 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-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodophenyl)butanamide
CID 39892599
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide
CID 38739993
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 100763881
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 46263724
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenylacetamide
CID 50759748
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41466780

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide (CID 17101498) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide is O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide?
The InChIKey is MRAZVVDGKKNVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-14-11-9-13(10-12-14)18-21-17(24-22-18)8-4-7-16(23)20-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8H2,(H,20,23).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide has a molecular weight of 341.80 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 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-phenylbutanamide is sourced from PubChem (CID 17101498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).