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

C16H22N4O — CID 106421440

IUPAC5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nc(CCN2CCNC(C)(c3ccccc3)C2)no1
InChIInChI=1S/C16H22N4O/c1-13-18-15(19-21-13)8-10-20-11-9-17-16(2,12-20)14-6-4-3-5-7-14/h3-7,17H,8-12H2,1-2H3
InChIKeyLQNPORCZPSEJHX-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.74
Rot. Bonds4

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

5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 106421440) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID106421440
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCc1nc(CCN2CCNC(C)(c3ccccc3)C2)no1
InChIInChI=1S/C16H22N4O/c1-13-18-15(19-21-13)8-10-20-11-9-17-16(2,12-20)14-6-4-3-5-7-14/h3-7,17H,8-12H2,1-2H3
InChIKeyLQNPORCZPSEJHX-UHFFFAOYSA-N
XLogP1.74
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 106421440) is 5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is Cc1nc(CCN2CCNC(C)(c3ccccc3)C2)no1.
What is the InChIKey of 5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is LQNPORCZPSEJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-18-15(19-21-13)8-10-20-11-9-17-16(2,12-20)14-6-4-3-5-7-14/h3-7,17H,8-12H2,1-2H3.
What are the key properties of 5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 286.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106421440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).