1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone

C23H26N4O2 — CID 25346954

IUPAC1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-4-6-20(7-5-16)23-25-24-22(29-23)17(2)26-12-14-27(15-13-26)21-10-8-19(9-11-21)18(3)28/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1
InChIKeyXLLFGZVYRLPQKX-QGZVFWFLSA-N
MW390.49 g/mol
LogP4.13
Rot. Bonds5

About 1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 25346954) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone
PubChem CID25346954
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-4-6-20(7-5-16)23-25-24-22(29-23)17(2)26-12-14-27(15-13-26)21-10-8-19(9-11-21)18(3)28/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1
InChIKeyXLLFGZVYRLPQKX-QGZVFWFLSA-N
XLogP4.13
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52532974
1-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 51111820
2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975
2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 9396200
N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline
CID 25339430
2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 95296429
2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 17408693
2-(3-chlorophenyl)-5-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308998
2-(3-chlorophenyl)-5-[(1R)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308994
[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
CID 8597061
2-[(1S)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 51620116
2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 51225270

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone (CID 25346954) is 1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is XLLFGZVYRLPQKX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-4-6-20(7-5-16)23-25-24-22(29-23)17(2)26-12-14-27(15-13-26)21-10-8-19(9-11-21)18(3)28/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 390.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 25346954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).