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

C23H25N3O3 — CID 31913134

IUPAC1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCOc1cccc(N2CCN(C(=O)Cc3nc(-c4ccccc4)oc3C)CC2)c1
InChIInChI=1S/C23H25N3O3/c1-17-21(24-23(29-17)18-7-4-3-5-8-18)16-22(27)26-13-11-25(12-14-26)19-9-6-10-20(15-19)28-2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyDAGBCMVWVAQSGQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.55
Rot. Bonds5

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

1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone (PubChem CID 31913134) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
PubChem CID31913134
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCOc1cccc(N2CCN(C(=O)Cc3nc(-c4ccccc4)oc3C)CC2)c1
InChIInChI=1S/C23H25N3O3/c1-17-21(24-23(29-17)18-7-4-3-5-8-18)16-22(27)26-13-11-25(12-14-26)19-9-6-10-20(15-19)28-2/h3-10,15H,11-14,16H2,1-2H3
InChIKeyDAGBCMVWVAQSGQ-UHFFFAOYSA-N
XLogP3.55
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355555
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110355852
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110371744
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355653
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 16962846
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
2-(4-methoxyphenyl)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 50762160
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110354510
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-(3-chlorophenyl)piperazin-1-yl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)ethanone
CID 110648973

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone (CID 31913134) is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone is COc1cccc(N2CCN(C(=O)Cc3nc(-c4ccccc4)oc3C)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is DAGBCMVWVAQSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-21(24-23(29-17)18-7-4-3-5-8-18)16-22(27)26-13-11-25(12-14-26)19-9-6-10-20(15-19)28-2/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 391.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 31913134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).