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

C21H23ClN6O2 — CID 3242098

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C21H23ClN6O2/c22-17-3-1-4-18(15-17)28-13-11-27(12-14-28)10-2-7-24-20(29)21-25-19(26-30-21)16-5-8-23-9-6-16/h1,3-6,8-9,15H,2,7,10-14H2,(H,24,29)
InChIKeyMHDIFNKJRAOXQS-UHFFFAOYSA-N
MW426.91 g/mol
LogP2.73
Rot. Bonds7

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

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 3242098) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID3242098
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C21H23ClN6O2/c22-17-3-1-4-18(15-17)28-13-11-27(12-14-28)10-2-7-24-20(29)21-25-19(26-30-21)16-5-8-23-9-6-16/h1,3-6,8-9,15H,2,7,10-14H2,(H,24,29)
InChIKeyMHDIFNKJRAOXQS-UHFFFAOYSA-N
XLogP2.73
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide (CID 3242098) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide is O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MHDIFNKJRAOXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c22-17-3-1-4-18(15-17)28-13-11-27(12-14-28)10-2-7-24-20(29)21-25-19(26-30-21)16-5-8-23-9-6-16/h1,3-6,8-9,15H,2,7,10-14H2,(H,24,29).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 426.91 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 3242098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).