N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide

C24H29N5O2 — CID 90681047

IUPACN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCNCC4)c3)o2)cc1
InChIInChI=1S/C24H29N5O2/c1-18-8-10-19(11-9-18)23-27-28-24(31-23)20-5-4-6-21(17-20)26-22(30)7-2-3-14-29-15-12-25-13-16-29/h4-6,8-11,17,25H,2-3,7,12-16H2,1H3,(H,26,30)
InChIKeyVSHXPENNFVQSAA-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.73
Rot. Bonds8

About N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide

N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide (PubChem CID 90681047) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide.

Molecular Properties

Compound NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide
PubChem CID90681047
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCNCC4)c3)o2)cc1
InChIInChI=1S/C24H29N5O2/c1-18-8-10-19(11-9-18)23-27-28-24(31-23)20-5-4-6-21(17-20)26-22(30)7-2-3-14-29-15-12-25-13-16-29/h4-6,8-11,17,25H,2-3,7,12-16H2,1H3,(H,26,30)
InChIKeyVSHXPENNFVQSAA-UHFFFAOYSA-N
XLogP3.73
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide 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-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 25093461
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 25093463
CID 78427023
CID 78427023
2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 880165
Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
Benzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-diethyl-
CID 74301
N-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 1231059
2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4665154
N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194
2-[[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990242
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(3-[1,3,4]oxadiazol-2-yl-phenyl)-urea
CID 44289877

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide?
The IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide (CID 90681047) is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide.
What is the SMILES notation for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide?
The canonical SMILES for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide is Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCNCC4)c3)o2)cc1.
What is the InChIKey of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide?
The InChIKey is VSHXPENNFVQSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-8-10-19(11-9-18)23-27-28-24(31-23)20-5-4-6-21(17-20)26-22(30)7-2-3-14-29-15-12-25-13-16-29/h4-6,8-11,17,25H,2-3,7,12-16H2,1H3,(H,26,30).
What are the key properties of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide?
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide has a molecular weight of 419.53 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-piperazin-1-ylpentanamide is sourced from PubChem (CID 90681047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).