N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C24H28FN5O2 — CID 22520104

IUPACN-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCN1CCN(Cc2ccccc2)CC1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C24H28FN5O2/c25-21-9-7-19(8-10-21)17-22-27-28-24(32-22)23(31)26-11-4-12-29-13-15-30(16-14-29)18-20-5-2-1-3-6-20/h1-3,5-10H,4,11-18H2,(H,26,31)
InChIKeyCMMXPXJXCHITMK-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.74
Rot. Bonds9

About N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22520104) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22520104
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCCN1CCN(Cc2ccccc2)CC1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C24H28FN5O2/c25-21-9-7-19(8-10-21)17-22-27-28-24(32-22)23(31)26-11-4-12-29-13-15-30(16-14-29)18-20-5-2-1-3-6-20/h1-3,5-10H,4,11-18H2,(H,26,31)
InChIKeyCMMXPXJXCHITMK-UHFFFAOYSA-N
XLogP2.74
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.74
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-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22520104) is N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is CMMXPXJXCHITMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c25-21-9-7-19(8-10-21)17-22-27-28-24(32-22)23(31)26-11-4-12-29-13-15-30(16-14-29)18-20-5-2-1-3-6-20/h1-3,5-10H,4,11-18H2,(H,26,31).
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22520104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).