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

C22H26N4O2 — CID 78826415

IUPAC2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(CN3CCN(CCOc4ccccc4)CC3)o2)c1
InChIInChI=1S/C22H26N4O2/c1-18-6-5-7-19(16-18)22-24-23-21(28-22)17-26-12-10-25(11-13-26)14-15-27-20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3
InChIKeyYYDNUXRRIIEIHF-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.24
Rot. Bonds7

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

2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 78826415) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID78826415
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(CN3CCN(CCOc4ccccc4)CC3)o2)c1
InChIInChI=1S/C22H26N4O2/c1-18-6-5-7-19(16-18)22-24-23-21(28-22)17-26-12-10-25(11-13-26)14-15-27-20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3
InChIKeyYYDNUXRRIIEIHF-UHFFFAOYSA-N
XLogP3.24
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 78826415) is 2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is Cc1cccc(-c2nnc(CN3CCN(CCOc4ccccc4)CC3)o2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is YYDNUXRRIIEIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-18-6-5-7-19(16-18)22-24-23-21(28-22)17-26-12-10-25(11-13-26)14-15-27-20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3.
What are the key properties of 2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 378.48 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 78826415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).