2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole

C23H28N4O2 — CID 8597865

IUPAC2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4cccc(C)c4)CC3)o2)cc1
InChIInChI=1S/C23H28N4O2/c1-17-5-4-6-19(15-17)16-26-11-13-27(14-12-26)18(2)22-24-25-23(29-22)20-7-9-21(28-3)10-8-20/h4-10,15,18H,11-14,16H2,1-3H3/t18-/m1/s1
InChIKeyGGQKNNGDGMMZIG-GOSISDBHSA-N
MW392.50 g/mol
LogP3.93
Rot. Bonds6

About 2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 8597865) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID8597865
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4cccc(C)c4)CC3)o2)cc1
InChIInChI=1S/C23H28N4O2/c1-17-5-4-6-19(15-17)16-26-11-13-27(14-12-26)18(2)22-24-25-23(29-22)20-7-9-21(28-3)10-8-20/h4-10,15,18H,11-14,16H2,1-3H3/t18-/m1/s1
InChIKeyGGQKNNGDGMMZIG-GOSISDBHSA-N
XLogP3.93
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-methoxyphenyl)-5-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9130894
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
2-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8559669
2-[(1S)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 51620116
2-(4-methoxyphenyl)-5-[(1R)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 33024180
2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
CID 56810609
2-[(1R)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 51625161
2-(3-chlorophenyl)-5-[1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 46595701
2-(4-nitrophenyl)-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 46614929
2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 51225270
2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 26613341
N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 45281562

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (CID 8597865) is 2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4cccc(C)c4)CC3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is GGQKNNGDGMMZIG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-5-4-6-19(15-17)16-26-11-13-27(14-12-26)18(2)22-24-25-23(29-22)20-7-9-21(28-3)10-8-20/h4-10,15,18H,11-14,16H2,1-3H3/t18-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 392.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 8597865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).