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

C26H31N5O3 — CID 90681049

IUPAC5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide
SMILESCC(=O)N1CCN(CCCCC(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)CC1
InChIInChI=1S/C26H31N5O3/c1-19-9-11-21(12-10-19)25-28-29-26(34-25)22-6-5-7-23(18-22)27-24(33)8-3-4-13-30-14-16-31(17-15-30)20(2)32/h5-7,9-12,18H,3-4,8,13-17H2,1-2H3,(H,27,33)
InChIKeyKLXVVCOBKBJKJN-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.98
Rot. Bonds8

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

5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide (PubChem CID 90681049) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide
PubChem CID90681049
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide
SMILESCC(=O)N1CCN(CCCCC(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)CC1
InChIInChI=1S/C26H31N5O3/c1-19-9-11-21(12-10-19)25-28-29-26(34-25)22-6-5-7-23(18-22)27-24(33)8-3-4-13-30-14-16-31(17-15-30)20(2)32/h5-7,9-12,18H,3-4,8,13-17H2,1-2H3,(H,27,33)
InChIKeyKLXVVCOBKBJKJN-UHFFFAOYSA-N
XLogP3.98
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.98
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

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
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
N,N-Diethyl-2-{4-[2-fluoro-4-(5-isopropyl-[1,3,4]oxadiazol-2-yl)-phenyl]-piperazin-1-yl}-2-phenyl-acetamide
CID 42647272
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 5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide (CID 90681049) is 5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide is CC(=O)N1CCN(CCCCC(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide?
The InChIKey is KLXVVCOBKBJKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-19-9-11-21(12-10-19)25-28-29-26(34-25)22-6-5-7-23(18-22)27-24(33)8-3-4-13-30-14-16-31(17-15-30)20(2)32/h5-7,9-12,18H,3-4,8,13-17H2,1-2H3,(H,27,33).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide?
5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide has a molecular weight of 461.57 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pentanamide is sourced from PubChem (CID 90681049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).