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

C25H31N5O2 — CID 90681046

IUPACN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCN(C)CC4)c3)o2)cc1
InChIInChI=1S/C25H31N5O2/c1-19-9-11-20(12-10-19)24-27-28-25(32-24)21-6-5-7-22(18-21)26-23(31)8-3-4-13-30-16-14-29(2)15-17-30/h5-7,9-12,18H,3-4,8,13-17H2,1-2H3,(H,26,31)
InChIKeyHDFUUNVUTGCAGS-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.07
Rot. Bonds8

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

N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide (PubChem CID 90681046) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide
PubChem CID90681046
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCN(C)CC4)c3)o2)cc1
InChIInChI=1S/C25H31N5O2/c1-19-9-11-20(12-10-19)24-27-28-25(32-24)21-6-5-7-22(18-21)26-23(31)8-3-4-13-30-16-14-29(2)15-17-30/h5-7,9-12,18H,3-4,8,13-17H2,1-2H3,(H,26,31)
InChIKeyHDFUUNVUTGCAGS-UHFFFAOYSA-N
XLogP4.07
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.07
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide?
The IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide (CID 90681046) is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide.
What is the SMILES notation for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide?
The canonical SMILES for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide is Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCN(C)CC4)c3)o2)cc1.
What is the InChIKey of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide?
The InChIKey is HDFUUNVUTGCAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-19-9-11-20(12-10-19)24-27-28-25(32-24)21-6-5-7-22(18-21)26-23(31)8-3-4-13-30-16-14-29(2)15-17-30/h5-7,9-12,18H,3-4,8,13-17H2,1-2H3,(H,26,31).
What are the key properties of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide?
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylpiperazin-1-yl)pentanamide has a molecular weight of 433.56 g/mol, XLogP of 4.07, 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-(4-methylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 90681046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).