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

C23H23ClN4O2 — CID 55649511

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCCCn1ccc2ccccc21
InChIInChI=1S/C23H23ClN4O2/c24-19-11-9-18(10-12-19)23-26-22(30-27-23)8-3-7-21(29)25-14-4-15-28-16-13-17-5-1-2-6-20(17)28/h1-2,5-6,9-13,16H,3-4,7-8,14-15H2,(H,25,29)
InChIKeySNTUSIHELRRMKL-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.87
Rot. Bonds9

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

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide (PubChem CID 55649511) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide
PubChem CID55649511
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCCCn1ccc2ccccc21
InChIInChI=1S/C23H23ClN4O2/c24-19-11-9-18(10-12-19)23-26-22(30-27-23)8-3-7-21(29)25-14-4-15-28-16-13-17-5-1-2-6-20(17)28/h1-2,5-6,9-13,16H,3-4,7-8,14-15H2,(H,25,29)
InChIKeySNTUSIHELRRMKL-UHFFFAOYSA-N
XLogP4.87
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51308197
4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
CID 55349212
2-chloro-N-[2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]ethyl]benzamide
CID 46441965
N-(3-aminobutyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119495720
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 55919632
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenylsulfanylpropyl)propanamide
CID 27828864
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
CID 78866247
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 110330836
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55648348
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]butanamide
CID 20819137

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide (CID 55649511) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide is O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCCCn1ccc2ccccc21.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide?
The InChIKey is SNTUSIHELRRMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-19-11-9-18(10-12-19)23-26-22(30-27-23)8-3-7-21(29)25-14-4-15-28-16-13-17-5-1-2-6-20(17)28/h1-2,5-6,9-13,16H,3-4,7-8,14-15H2,(H,25,29).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide has a molecular weight of 422.92 g/mol, XLogP of 4.87, 9 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-(3-indol-1-ylpropyl)butanamide is sourced from PubChem (CID 55649511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).