5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C15H20N4O2 — CID 120957648

IUPAC5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C15H20N4O2/c1-3-20-13-7-5-4-6-11(13)15-17-14(18-21-15)12-10-16-8-9-19(12)2/h4-7,12,16H,3,8-10H2,1-2H3
InChIKeyJLAANJSSTWALDA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.71
Rot. Bonds4

About 5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120957648) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120957648
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C15H20N4O2/c1-3-20-13-7-5-4-6-11(13)15-17-14(18-21-15)12-10-16-8-9-19(12)2/h4-7,12,16H,3,8-10H2,1-2H3
InChIKeyJLAANJSSTWALDA-UHFFFAOYSA-N
XLogP1.71
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120957648) is 5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CCOc1ccccc1-c1nc(C2CNCCN2C)no1.
What is the InChIKey of 5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is JLAANJSSTWALDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-20-13-7-5-4-6-11(13)15-17-14(18-21-15)12-10-16-8-9-19(12)2/h4-7,12,16H,3,8-10H2,1-2H3.
What are the key properties of 5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120957648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).