1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one

C17H21N3O2 — CID 110645862

IUPAC1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)no1
InChIInChI=1S/C17H21N3O2/c1-14-13-16(18-22-14)19-9-11-20(12-10-19)17(21)8-7-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeySRHYNADYSPMYSZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.26
Rot. Bonds4

About 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 110645862) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID110645862
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)no1
InChIInChI=1S/C17H21N3O2/c1-14-13-16(18-22-14)19-9-11-20(12-10-19)17(21)8-7-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeySRHYNADYSPMYSZ-UHFFFAOYSA-N
XLogP2.26
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]propan-1-one
CID 110645900
benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate
CID 110645892
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113081452
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
2-[4-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 110422399
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
CID 75527247
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one (CID 110645862) is 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one is Cc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)no1.
What is the InChIKey of 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is SRHYNADYSPMYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-14-13-16(18-22-14)19-9-11-20(12-10-19)17(21)8-7-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3.
What are the key properties of 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110645862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).