N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide

C26H33N5O2 — CID 90681050

IUPACN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCN4CCN(C)CC4)c3)o2)cc1
InChIInChI=1S/C26H33N5O2/c1-20-10-12-21(13-11-20)25-28-29-26(33-25)22-7-6-8-23(19-22)27-24(32)9-4-3-5-14-31-17-15-30(2)16-18-31/h6-8,10-13,19H,3-5,9,14-18H2,1-2H3,(H,27,32)
InChIKeyBNKIGLRCRFULAP-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.46
Rot. Bonds9

About N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide

N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide (PubChem CID 90681050) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide.

Molecular Properties

Compound NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide
PubChem CID90681050
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCN4CCN(C)CC4)c3)o2)cc1
InChIInChI=1S/C26H33N5O2/c1-20-10-12-21(13-11-20)25-28-29-26(33-25)22-7-6-8-23(19-22)27-24(32)9-4-3-5-14-31-17-15-30(2)16-18-31/h6-8,10-13,19H,3-5,9,14-18H2,1-2H3,(H,27,32)
InChIKeyBNKIGLRCRFULAP-UHFFFAOYSA-N
XLogP4.46
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.46
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

N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
CID 10200651
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
Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
4-Oxo-4-{[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]amino}butanoic acid
CID 888626
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
1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(3-[1,3,4]oxadiazol-2-yl-phenyl)-urea
CID 44289877
2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(4-morpholinyl)phenyl][1,1'-biphenyl]-3-carboxamide
CID 44580420

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide?
The IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide (CID 90681050) is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide.
What is the SMILES notation for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide?
The canonical SMILES for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide is Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCN4CCN(C)CC4)c3)o2)cc1.
What is the InChIKey of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide?
The InChIKey is BNKIGLRCRFULAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-20-10-12-21(13-11-20)25-28-29-26(33-25)22-7-6-8-23(19-22)27-24(32)9-4-3-5-14-31-17-15-30(2)16-18-31/h6-8,10-13,19H,3-5,9,14-18H2,1-2H3,(H,27,32).
What are the key properties of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide?
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-(4-methylpiperazin-1-yl)hexanamide has a molecular weight of 447.58 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 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]-6-(4-methylpiperazin-1-yl)hexanamide is sourced from PubChem (CID 90681050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).