5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide

C23H26ClN5O2 — CID 22431923

IUPAC5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1nnc(Cc2cccc(Cl)c2)o1
InChIInChI=1S/C23H26ClN5O2/c24-19-7-4-6-18(16-19)17-21-26-27-23(31-21)22(30)25-10-5-11-28-12-14-29(15-13-28)20-8-2-1-3-9-20/h1-4,6-9,16H,5,10-15,17H2,(H,25,30)
InChIKeyWMBLTKSEGPZHPF-UHFFFAOYSA-N
MW439.95 g/mol
LogP3.26
Rot. Bonds8

About 5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide

5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431923) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431923
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1nnc(Cc2cccc(Cl)c2)o1
InChIInChI=1S/C23H26ClN5O2/c24-19-7-4-6-18(16-19)17-21-26-27-23(31-21)22(30)25-10-5-11-28-12-14-29(15-13-28)20-8-2-1-3-9-20/h1-4,6-9,16H,5,10-15,17H2,(H,25,30)
InChIKeyWMBLTKSEGPZHPF-UHFFFAOYSA-N
XLogP3.26
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide
CID 23004473
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 66575751
3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 50848583
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 15989718
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393326
5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide
CID 55861118
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide (CID 22431923) is 5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCCCN1CCN(c2ccccc2)CC1)c1nnc(Cc2cccc(Cl)c2)o1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is WMBLTKSEGPZHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c24-19-7-4-6-18(16-19)17-21-26-27-23(31-21)22(30)25-10-5-11-28-12-14-29(15-13-28)20-8-2-1-3-9-20/h1-4,6-9,16H,5,10-15,17H2,(H,25,30).
What are the key properties of 5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide?
5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).