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

C19H28N4O3 — CID 86895024

IUPAC2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCOCCN1CCN(Cc2nnc(-c3ccc(OC)cc3)o2)CC1C
InChIInChI=1S/C19H28N4O3/c1-4-25-12-11-23-10-9-22(13-15(23)2)14-18-20-21-19(26-18)16-5-7-17(24-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3
InChIKeyHJYDXGZDEGZWRD-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.29
Rot. Bonds8

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

2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 86895024) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID86895024
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCOCCN1CCN(Cc2nnc(-c3ccc(OC)cc3)o2)CC1C
InChIInChI=1S/C19H28N4O3/c1-4-25-12-11-23-10-9-22(13-15(23)2)14-18-20-21-19(26-18)16-5-7-17(24-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3
InChIKeyHJYDXGZDEGZWRD-UHFFFAOYSA-N
XLogP2.29
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56802281
2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 86895063
(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
CID 124737287
2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 95333025
2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole
CID 5146548
ethyl (3S)-1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxylate
CID 36795920
ethyl 1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxylate
CID 42926003
(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124853039
2-[[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 86895371
2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]phenol
CID 36839855
methyl 3-[(2R)-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propanoate
CID 97333153
4-[[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 95348101

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 86895024) is 2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is CCOCCN1CCN(Cc2nnc(-c3ccc(OC)cc3)o2)CC1C.
What is the InChIKey of 2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is HJYDXGZDEGZWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-4-25-12-11-23-10-9-22(13-15(23)2)14-18-20-21-19(26-18)16-5-7-17(24-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3.
What are the key properties of 2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 360.46 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 86895024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).