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

C17H21N3O2 — CID 113081452

IUPAC1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(c3cc(C)on3)CC2)cc1
InChIInChI=1S/C17H21N3O2/c1-13-3-5-15(6-4-13)12-17(21)20-9-7-19(8-10-20)16-11-14(2)22-18-16/h3-6,11H,7-10,12H2,1-2H3
InChIKeyKFTZMCOOURDAOT-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.18
Rot. Bonds3

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

1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 113081452) 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]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID113081452
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(c3cc(C)on3)CC2)cc1
InChIInChI=1S/C17H21N3O2/c1-13-3-5-15(6-4-13)12-17(21)20-9-7-19(8-10-20)16-11-14(2)22-18-16/h3-6,11H,7-10,12H2,1-2H3
InChIKeyKFTZMCOOURDAOT-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110714939
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110645862
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]propan-1-one
CID 110645900
2-(5-methyl-1,2-oxazol-3-yl)-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]ethanone
CID 86950107
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
2-[4-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 110422399
benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate
CID 110645892
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 56794216
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 121106979
1-[4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 53202542
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110645725
4-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104147

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (CID 113081452) is 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCN(c3cc(C)on3)CC2)cc1.
What is the InChIKey of 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is KFTZMCOOURDAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-3-5-15(6-4-13)12-17(21)20-9-7-19(8-10-20)16-11-14(2)22-18-16/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.18, 3 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]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 113081452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).