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

C17H21N3O2 — CID 136571992

IUPAC1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccc(-c3ncc(C)o3)c2)CC1
InChIInChI=1S/C17H21N3O2/c1-13-11-18-17(22-13)16-5-3-4-15(10-16)12-19-6-8-20(9-7-19)14(2)21/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyQOFMMOSVVNVRCT-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.31
Rot. Bonds3

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

1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 136571992) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID136571992
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccc(-c3ncc(C)o3)c2)CC1
InChIInChI=1S/C17H21N3O2/c1-13-11-18-17(22-13)16-5-3-4-15(10-16)12-19-6-8-20(9-7-19)14(2)21/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyQOFMMOSVVNVRCT-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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Related Compounds

1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997
1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone
CID 167981061
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
1-[4-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 176777487
1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23885384
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 62463955
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 55465377
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 39718387

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone (CID 136571992) is 1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cccc(-c3ncc(C)o3)c2)CC1.
What is the InChIKey of 1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is QOFMMOSVVNVRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-11-18-17(22-13)16-5-3-4-15(10-16)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-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]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-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 136571992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).