1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone

C17H21N3O2 — CID 53015295

IUPAC1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cnoc2-c2cccc(C)c2)CC1
InChIInChI=1S/C17H21N3O2/c1-13-4-3-5-15(10-13)17-16(11-18-22-17)12-19-6-8-20(9-7-19)14(2)21/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyBZNLWDLRJWMCNX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.31
Rot. Bonds3

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

1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 53015295) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone
PubChem CID53015295
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cnoc2-c2cccc(C)c2)CC1
InChIInChI=1S/C17H21N3O2/c1-13-4-3-5-15(10-13)17-16(11-18-22-17)12-19-6-8-20(9-7-19)14(2)21/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyBZNLWDLRJWMCNX-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone (CID 53015295) is 1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cnoc2-c2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is BZNLWDLRJWMCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-4-3-5-15(10-13)17-16(11-18-22-17)12-19-6-8-20(9-7-19)14(2)21/h3-5,10-11H,6-9,12H2,1-2H3.
What are the key properties of 1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53015295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).