N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C24H27Cl2N5O2 — CID 15989881

IUPACN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2nnc(Cc3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C24H27Cl2N5O2/c1-17-6-7-20(26)16-21(17)31-12-10-30(11-13-31)9-3-8-27-23(32)24-29-28-22(33-24)15-18-4-2-5-19(25)14-18/h2,4-7,14,16H,3,8-13,15H2,1H3,(H,27,32)
InChIKeyBYSCUIKLHAGXHP-UHFFFAOYSA-N
MW488.42 g/mol
LogP4.22
Rot. Bonds8

About N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 15989881) has the molecular formula C24H27Cl2N5O2 and a molecular weight of 488.42 g/mol. Its IUPAC name is N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID15989881
Molecular FormulaC24H27Cl2N5O2
Molecular Weight488.42 g/mol
Exact Mass487.15
IUPAC NameN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2nnc(Cc3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C24H27Cl2N5O2/c1-17-6-7-20(26)16-21(17)31-12-10-30(11-13-31)9-3-8-27-23(32)24-29-28-22(33-24)15-18-4-2-5-19(25)14-18/h2,4-7,14,16H,3,8-13,15H2,1H3,(H,27,32)
InChIKeyBYSCUIKLHAGXHP-UHFFFAOYSA-N
XLogP4.22
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 54.22
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-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 15989881) is N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2nnc(Cc3cccc(Cl)c3)o2)CC1.
What is the InChIKey of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is BYSCUIKLHAGXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O2/c1-17-6-7-20(26)16-21(17)31-12-10-30(11-13-31)9-3-8-27-23(32)24-29-28-22(33-24)15-18-4-2-5-19(25)14-18/h2,4-7,14,16H,3,8-13,15H2,1H3,(H,27,32).
What are the key properties of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 488.42 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 15989881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).