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

C18H26N4O — CID 56684956

IUPAC3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(Cc3ccccc3C)CC2)n1
InChIInChI=1S/C18H26N4O/c1-4-17-19-18(23-20-17)15(3)22-11-9-21(10-12-22)13-16-8-6-5-7-14(16)2/h5-8,15H,4,9-13H2,1-3H3
InChIKeyCWIBOXKTQDOWTI-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.82
Rot. Bonds5

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

3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 56684956) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID56684956
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(Cc3ccccc3C)CC2)n1
InChIInChI=1S/C18H26N4O/c1-4-17-19-18(23-20-17)15(3)22-11-9-21(10-12-22)13-16-8-6-5-7-14(16)2/h5-8,15H,4,9-13H2,1-3H3
InChIKeyCWIBOXKTQDOWTI-UHFFFAOYSA-N
XLogP2.82
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 56684956) is 3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CCc1noc(C(C)N2CCN(Cc3ccccc3C)CC2)n1.
What is the InChIKey of 3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is CWIBOXKTQDOWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-17-19-18(23-20-17)15(3)22-11-9-21(10-12-22)13-16-8-6-5-7-14(16)2/h5-8,15H,4,9-13H2,1-3H3.
What are the key properties of 3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 314.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56684956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).