2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C21H26N4O2S — CID 55470954

IUPAC2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCOc1ccc(CN2CCN(C(C)c3nnc(-c4cccs4)o3)CC2)cc1
InChIInChI=1S/C21H26N4O2S/c1-3-26-18-8-6-17(7-9-18)15-24-10-12-25(13-11-24)16(2)20-22-23-21(27-20)19-5-4-14-28-19/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyTWFCXOVQGSAARP-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.08
Rot. Bonds7

About 2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 55470954) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID55470954
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCOc1ccc(CN2CCN(C(C)c3nnc(-c4cccs4)o3)CC2)cc1
InChIInChI=1S/C21H26N4O2S/c1-3-26-18-8-6-17(7-9-18)15-24-10-12-25(13-11-24)16(2)20-22-23-21(27-20)19-5-4-14-28-19/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyTWFCXOVQGSAARP-UHFFFAOYSA-N
XLogP4.08
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(1R)-1-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 97089717
(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312496
(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312493
2-[(1R)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 9047168
2-(4-methoxyphenyl)-5-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9130894
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 55470561
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
1-morpholin-4-yl-2-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 30955766
2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7734454
N-phenyl-2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]acetamide
CID 55516747
thiophen-2-yl-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 18197702
2-[(1S)-1-[(4S)-4-propylazepan-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 97027423

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 55470954) is 2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is CCOc1ccc(CN2CCN(C(C)c3nnc(-c4cccs4)o3)CC2)cc1.
What is the InChIKey of 2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is TWFCXOVQGSAARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-3-26-18-8-6-17(7-9-18)15-24-10-12-25(13-11-24)16(2)20-22-23-21(27-20)19-5-4-14-28-19/h4-9,14,16H,3,10-13,15H2,1-2H3.
What are the key properties of 2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 398.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 55470954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).