2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one

C19H24N4O3 — CID 7217068

IUPAC2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)Cc2noc(-c3ccccc3)n2)C[C@@H]1C
InChIInChI=1S/C19H24N4O3/c1-13(2)19(25)23-10-9-22(12-14(23)3)17(24)11-16-20-18(26-21-16)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyQMLNUGFIGZIWIS-AWEZNQCLSA-N
MW356.43 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one

2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 7217068) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID7217068
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)Cc2noc(-c3ccccc3)n2)C[C@@H]1C
InChIInChI=1S/C19H24N4O3/c1-13(2)19(25)23-10-9-22(12-14(23)3)17(24)11-16-20-18(26-21-16)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyQMLNUGFIGZIWIS-AWEZNQCLSA-N
XLogP1.99
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[2-methyl-4-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetyl]piperazin-1-yl]propan-1-one
CID 4031832
2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 3529583
1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 7201767
3-chloro-2,2-dimethyl-1-[2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 4211921
1-[(3R)-4-(2-bromobenzoyl)-3-methylpiperazin-1-yl]-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 92518123
1-[(2R)-4-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetyl]-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7218726
1-[4-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetyl]-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3688994
3-chloro-2,2-dimethyl-1-[2-methyl-4-[2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetyl]piperazin-1-yl]propan-1-one
CID 3439067
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]ethanone
CID 4540955
1-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 3439077
2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(3-methylpiperazin-1-yl)ethanone
CID 42764952
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one (CID 7217068) is 2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(C(=O)Cc2noc(-c3ccccc3)n2)C[C@@H]1C.
What is the InChIKey of 2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is QMLNUGFIGZIWIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(2)19(25)23-10-9-22(12-14(23)3)17(24)11-16-20-18(26-21-16)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2S)-2-methyl-4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 7217068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).