2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

C21H24N4O — CID 17408693

IUPAC2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccccc1N1CCN(C(C)c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H24N4O/c1-16-8-6-7-11-19(16)25-14-12-24(13-15-25)17(2)20-22-23-21(26-20)18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3
InChIKeyKYAUARDJAIDEFD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.93
Rot. Bonds4

About 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 17408693) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID17408693
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccccc1N1CCN(C(C)c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H24N4O/c1-16-8-6-7-11-19(16)25-14-12-24(13-15-25)17(2)20-22-23-21(26-20)18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3
InChIKeyKYAUARDJAIDEFD-UHFFFAOYSA-N
XLogP3.93
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 17408693) is 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccccc1N1CCN(C(C)c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is KYAUARDJAIDEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-8-6-7-11-19(16)25-14-12-24(13-15-25)17(2)20-22-23-21(26-20)18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3.
What are the key properties of 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 348.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 17408693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).