1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone

C17H18ClN3O3 — CID 16878729

IUPAC1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C17H18ClN3O3/c1-12(22)20-6-8-21(9-7-20)17(23)11-15-10-16(24-19-15)13-2-4-14(18)5-3-13/h2-5,10H,6-9,11H2,1H3
InChIKeyDEVUJGXDCVGZIG-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.23
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone (PubChem CID 16878729) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone
PubChem CID16878729
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C17H18ClN3O3/c1-12(22)20-6-8-21(9-7-20)17(23)11-15-10-16(24-19-15)13-2-4-14(18)5-3-13/h2-5,10H,6-9,11H2,1H3
InChIKeyDEVUJGXDCVGZIG-UHFFFAOYSA-N
XLogP2.23
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110316706
1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide
CID 16878731
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 16878575
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 110313081
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methoxyacetamide
CID 110619836
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 112845684
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 110312947
1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 110608727
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
CID 110313457
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)acetamide
CID 16878595
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 110610868

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone (CID 16878729) is 1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone is CC(=O)N1CCN(C(=O)Cc2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is DEVUJGXDCVGZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-12(22)20-6-8-21(9-7-20)17(23)11-15-10-16(24-19-15)13-2-4-14(18)5-3-13/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 347.80 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 16878729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).