1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone

C18H21N3O3 — CID 36708636

IUPAC1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC1
InChIInChI=1S/C18H21N3O3/c1-13-16(19-18(24-13)15-6-4-3-5-7-15)12-17(23)21-10-8-20(9-11-21)14(2)22/h3-7H,8-12H2,1-2H3
InChIKeyIUWCMLIUWVUWJA-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.88
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone (PubChem CID 36708636) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
PubChem CID36708636
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC1
InChIInChI=1S/C18H21N3O3/c1-13-16(19-18(24-13)15-6-4-3-5-7-15)12-17(23)21-10-8-20(9-11-21)14(2)22/h3-7H,8-12H2,1-2H3
InChIKeyIUWCMLIUWVUWJA-UHFFFAOYSA-N
XLogP1.88
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
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
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone
CID 110408743
1-(4-acetylpiperazin-1-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355555
N,N-diethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 55513764
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 31913134
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 16962846
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 110371859
4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23993543

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone (CID 36708636) is 1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone is CC(=O)N1CCN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is IUWCMLIUWVUWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-16(19-18(24-13)15-6-4-3-5-7-15)12-17(23)21-10-8-20(9-11-21)14(2)22/h3-7H,8-12H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 327.38 g/mol, XLogP of 1.88, 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-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 36708636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).