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

C24H28N4O3 — CID 90681045

IUPACN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C24H28N4O3/c1-18-8-10-19(11-9-18)23-26-27-24(31-23)20-5-4-6-21(17-20)25-22(29)7-2-3-12-28-13-15-30-16-14-28/h4-6,8-11,17H,2-3,7,12-16H2,1H3,(H,25,29)
InChIKeyZWWDIHULJXNIMK-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.15
Rot. Bonds8

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

N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide (PubChem CID 90681045) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide.

Molecular Properties

Compound NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide
PubChem CID90681045
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C24H28N4O3/c1-18-8-10-19(11-9-18)23-26-27-24(31-23)20-5-4-6-21(17-20)25-22(29)7-2-3-12-28-13-15-30-16-14-28/h4-6,8-11,17H,2-3,7,12-16H2,1H3,(H,25,29)
InChIKeyZWWDIHULJXNIMK-UHFFFAOYSA-N
XLogP4.15
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.15
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
Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
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
2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(4-morpholinyl)phenyl][1,1'-biphenyl]-3-carboxamide
CID 44580420
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 976675
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1009404
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 1803647
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2961612

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide?
The IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide (CID 90681045) is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide.
What is the SMILES notation for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide?
The canonical SMILES for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide is Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCOCC4)c3)o2)cc1.
What is the InChIKey of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide?
The InChIKey is ZWWDIHULJXNIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-18-8-10-19(11-9-18)23-26-27-24(31-23)20-5-4-6-21(17-20)25-22(29)7-2-3-12-28-13-15-30-16-14-28/h4-6,8-11,17H,2-3,7,12-16H2,1H3,(H,25,29).
What are the key properties of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide?
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-morpholin-4-ylpentanamide has a molecular weight of 420.51 g/mol, XLogP of 4.15, 8 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]-5-morpholin-4-ylpentanamide is sourced from PubChem (CID 90681045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).