2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol

C21H24N4O3 — CID 17440213

IUPAC2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
SMILESCCOc1ccccc1-c1noc(CN2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C21H24N4O3/c1-2-27-19-10-6-3-7-16(19)21-22-20(28-23-21)15-24-11-13-25(14-12-24)17-8-4-5-9-18(17)26/h3-10,26H,2,11-15H2,1H3
InChIKeyPHMMQJWFURAHEO-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.16
Rot. Bonds6

About 2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol

2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol (PubChem CID 17440213) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
PubChem CID17440213
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
SMILESCCOc1ccccc1-c1noc(CN2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C21H24N4O3/c1-2-27-19-10-6-3-7-16(19)21-22-20(28-23-21)15-24-11-13-25(14-12-24)17-8-4-5-9-18(17)26/h3-10,26H,2,11-15H2,1H3
InChIKeyPHMMQJWFURAHEO-UHFFFAOYSA-N
XLogP3.16
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 78807327
5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 29415351
2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
3-[2-(difluoromethoxy)phenyl]-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807787
3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 16593438
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 1318256
1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55500458
3-[2-(difluoromethoxy)phenyl]-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807404
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
5-[[4-(3-ethoxy-2-nitrophenyl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 75522907
(2R)-4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1,4-benzoxazin-3-one
CID 95082064

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol (CID 17440213) is 2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol is CCOc1ccccc1-c1noc(CN2CCN(c3ccccc3O)CC2)n1.
What is the InChIKey of 2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol?
The InChIKey is PHMMQJWFURAHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-2-27-19-10-6-3-7-16(19)21-22-20(28-23-21)15-24-11-13-25(14-12-24)17-8-4-5-9-18(17)26/h3-10,26H,2,11-15H2,1H3.
What are the key properties of 2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol?
2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol has a molecular weight of 380.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 17440213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).