1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone

C17H21N3O2 — CID 125014450

IUPAC1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc(C)on2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H21N3O2/c1-13-10-16(18-22-13)11-20-9-8-19(14(2)21)12-17(20)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyWMLTWZDXNJMLIE-QGZVFWFLSA-N
MW299.37 g/mol
LogP2.39
Rot. Bonds3

About 1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone

1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone (PubChem CID 125014450) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
PubChem CID125014450
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc(C)on2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H21N3O2/c1-13-10-16(18-22-13)11-20-9-8-19(14(2)21)12-17(20)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyWMLTWZDXNJMLIE-QGZVFWFLSA-N
XLogP2.39
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-phenyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone
CID 110109188
1-[(3R)-3-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 125008142
1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124953208
1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124960055
1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124941396
1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 110098224
2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 124940322
1-[(3R)-3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 124974764
1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 110098235
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 64946738
1-[(3R)-3-phenyl-4-[(1-propylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 124981538

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone (CID 125014450) is 1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cc(C)on2)[C@@H](c2ccccc2)C1.
What is the InChIKey of 1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone?
The InChIKey is WMLTWZDXNJMLIE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-10-16(18-22-13)11-20-9-8-19(14(2)21)12-17(20)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone?
1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 125014450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).