2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole

C16H22N4O2 — CID 137336900

IUPAC2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole
SMILESCOCc1nnc(N2CCN(CCc3ccccc3)CC2)o1
InChIInChI=1S/C16H22N4O2/c1-21-13-15-17-18-16(22-15)20-11-9-19(10-12-20)8-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyQXTNACCKVQHFOL-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.58
Rot. Bonds6

About 2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole

2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole (PubChem CID 137336900) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole
PubChem CID137336900
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole
SMILESCOCc1nnc(N2CCN(CCc3ccccc3)CC2)o1
InChIInChI=1S/C16H22N4O2/c1-21-13-15-17-18-16(22-15)20-11-9-19(10-12-20)8-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyQXTNACCKVQHFOL-UHFFFAOYSA-N
XLogP1.58
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole (CID 137336900) is 2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole is COCc1nnc(N2CCN(CCc3ccccc3)CC2)o1.
What is the InChIKey of 2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole?
The InChIKey is QXTNACCKVQHFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-21-13-15-17-18-16(22-15)20-11-9-19(10-12-20)8-7-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3.
What are the key properties of 2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole?
2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole has a molecular weight of 302.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 137336900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).