5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide

About 5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide

5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 23004473) has the molecular formula C24H26Cl2FN5O2 and a molecular weight of 506.41 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name	5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID	23004473
Molecular Formula	C24H26Cl2FN5O2
Molecular Weight	506.41 g/mol
Exact Mass	505.14
IUPAC Name	5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide
SMILES	Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)CC1
InChI	InChI=1S/C24H26Cl2FN5O2/c1-16-6-7-17(25)14-21(16)32-12-10-31(11-13-32)9-3-8-28-23(33)24-30-29-22(34-24)15-18-19(26)4-2-5-20(18)27/h2,4-7,14H,3,8-13,15H2,1H3,(H,28,33)
InChIKey	WYNQYVDACCZSKW-UHFFFAOYSA-N
XLogP	4.36
TPSA	74.50 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.41
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide (CID 23004473) is 5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)CC1.

What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is WYNQYVDACCZSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2FN5O2/c1-16-6-7-17(25)14-21(16)32-12-10-31(11-13-32)9-3-8-28-23(33)24-30-29-22(34-24)15-18-19(26)4-2-5-20(18)27/h2,4-7,14H,3,8-13,15H2,1H3,(H,28,33).

What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide?

5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 506.41 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 23004473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).