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

C20H30N4O2 — CID 75464148

IUPAC5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(CCOc3ccc(C(C)C)c(C)c3)CC2)no1
InChIInChI=1S/C20H30N4O2/c1-15(2)19-6-5-18(13-16(19)3)25-12-11-23-7-9-24(10-8-23)14-20-21-17(4)26-22-20/h5-6,13,15H,7-12,14H2,1-4H3
InChIKeyYUCWISWSIDHHDI-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.01
Rot. Bonds7

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

5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 75464148) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID75464148
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(CCOc3ccc(C(C)C)c(C)c3)CC2)no1
InChIInChI=1S/C20H30N4O2/c1-15(2)19-6-5-18(13-16(19)3)25-12-11-23-7-9-24(10-8-23)14-20-21-17(4)26-22-20/h5-6,13,15H,7-12,14H2,1-4H3
InChIKeyYUCWISWSIDHHDI-UHFFFAOYSA-N
XLogP3.01
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 75464148) is 5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CN2CCN(CCOc3ccc(C(C)C)c(C)c3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is YUCWISWSIDHHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15(2)19-6-5-18(13-16(19)3)25-12-11-23-7-9-24(10-8-23)14-20-21-17(4)26-22-20/h5-6,13,15H,7-12,14H2,1-4H3.
What are the key properties of 5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 358.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75464148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).