1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone

C21H27N3O3 — CID 110408743

IUPAC1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2nc(-c3ccc(C(C)C)cc3)oc2C)CC1
InChIInChI=1S/C21H27N3O3/c1-14(2)17-5-7-18(8-6-17)21-22-19(15(3)27-21)13-20(26)24-11-9-23(10-12-24)16(4)25/h5-8,14H,9-13H2,1-4H3
InChIKeySGYLWOHSYHXPEN-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.01
Rot. Bonds4

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

1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 110408743) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone
PubChem CID110408743
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2nc(-c3ccc(C(C)C)cc3)oc2C)CC1
InChIInChI=1S/C21H27N3O3/c1-14(2)17-5-7-18(8-6-17)21-22-19(15(3)27-21)13-20(26)24-11-9-23(10-12-24)16(4)25/h5-8,14H,9-13H2,1-4H3
InChIKeySGYLWOHSYHXPEN-UHFFFAOYSA-N
XLogP3.01
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone with MolForge

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110605980
methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate
CID 22507119
tert-butyl 4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110406385
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 110371827
1-(4-acetylpiperazin-1-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355555
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110419597
1-(4-acetylpiperazin-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110647873
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
4-ethyl-5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazole
CID 142936111
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone (CID 110408743) is 1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone is CC(=O)N1CCN(C(=O)Cc2nc(-c3ccc(C(C)C)cc3)oc2C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is SGYLWOHSYHXPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(2)17-5-7-18(8-6-17)21-22-19(15(3)27-21)13-20(26)24-11-9-23(10-12-24)16(4)25/h5-8,14H,9-13H2,1-4H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 369.47 g/mol, XLogP of 3.01, 4 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-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 110408743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).