N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide

C24H29N5O2 — CID 22431741

IUPACN-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(C)c(N2CCN(CCCNC(=O)c3nnc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C24H29N5O2/c1-18-9-10-19(2)21(17-18)29-15-13-28(14-16-29)12-6-11-25-22(30)24-27-26-23(31-24)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,25,30)
InChIKeyBTNRQNSTNYDDCQ-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.30
Rot. Bonds7

About N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide

N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431741) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431741
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(C)c(N2CCN(CCCNC(=O)c3nnc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C24H29N5O2/c1-18-9-10-19(2)21(17-18)29-15-13-28(14-16-29)12-6-11-25-22(30)24-27-26-23(31-24)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,25,30)
InChIKeyBTNRQNSTNYDDCQ-UHFFFAOYSA-N
XLogP3.30
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.30
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-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 22431741) is N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(C)c(N2CCN(CCCNC(=O)c3nnc(-c4ccccc4)o3)CC2)c1.
What is the InChIKey of N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is BTNRQNSTNYDDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-9-10-19(2)21(17-18)29-15-13-28(14-16-29)12-6-11-25-22(30)24-27-26-23(31-24)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,25,30).
What are the key properties of N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).