2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C15H20N4O2 — CID 36795901

IUPAC2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CN3CCN(C)CC3)o2)cc1
InChIInChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)11-14-16-17-15(21-14)12-3-5-13(20-2)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyXCLASWWFCSFJRU-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.49
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 36795901) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID36795901
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CN3CCN(C)CC3)o2)cc1
InChIInChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)11-14-16-17-15(21-14)12-3-5-13(20-2)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyXCLASWWFCSFJRU-UHFFFAOYSA-N
XLogP1.49
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 36795901) is 2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(CN3CCN(C)CC3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is XCLASWWFCSFJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)11-14-16-17-15(21-14)12-3-5-13(20-2)6-4-12/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 36795901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).