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

C22H24N4O2 — CID 8597061

IUPAC[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
SMILESCc1cccc(-c2nnc([C@@H](C)N3CCN(C(=O)c4ccccc4)CC3)o2)c1
InChIInChI=1S/C22H24N4O2/c1-16-7-6-10-19(15-16)21-24-23-20(28-21)17(2)25-11-13-26(14-12-25)22(27)18-8-4-3-5-9-18/h3-10,15,17H,11-14H2,1-2H3/t17-/m1/s1
InChIKeyZNUSHLBJOYXFJJ-QGZVFWFLSA-N
MW376.46 g/mol
LogP3.56
Rot. Bonds4

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

[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone (PubChem CID 8597061) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
PubChem CID8597061
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
SMILESCc1cccc(-c2nnc([C@@H](C)N3CCN(C(=O)c4ccccc4)CC3)o2)c1
InChIInChI=1S/C22H24N4O2/c1-16-7-6-10-19(15-16)21-24-23-20(28-21)17(2)25-11-13-26(14-12-25)22(27)18-8-4-3-5-9-18/h3-10,15,17H,11-14H2,1-2H3/t17-/m1/s1
InChIKeyZNUSHLBJOYXFJJ-QGZVFWFLSA-N
XLogP3.56
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975
[4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 55544052
N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 45281562
N-(2-chlorophenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 45281670
N-(2-chlorophenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 30738031
N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 30740204
2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 45281627
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920
(4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 36876738
6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 55852244

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone (CID 8597061) is [4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone is Cc1cccc(-c2nnc([C@@H](C)N3CCN(C(=O)c4ccccc4)CC3)o2)c1.
What is the InChIKey of [4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is ZNUSHLBJOYXFJJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-7-6-10-19(15-16)21-24-23-20(28-21)17(2)25-11-13-26(14-12-25)22(27)18-8-4-3-5-9-18/h3-10,15,17H,11-14H2,1-2H3/t17-/m1/s1.
What are the key properties of [4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone?
[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 376.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 8597061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).