2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

C23H26N4O3 — CID 9348036

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3cc(-c4ccc(C)cc4)no3)CC2)c1
InChIInChI=1S/C23H26N4O3/c1-17-6-8-18(9-7-17)21-15-23(30-25-21)24-22(28)16-26-10-12-27(13-11-26)19-4-3-5-20(14-19)29-2/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,28)
InChIKeyQACHPWHACYJHGO-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.42
Rot. Bonds6

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 9348036) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID9348036
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3cc(-c4ccc(C)cc4)no3)CC2)c1
InChIInChI=1S/C23H26N4O3/c1-17-6-8-18(9-7-17)21-15-23(30-25-21)24-22(28)16-26-10-12-27(13-11-26)19-4-3-5-20(14-19)29-2/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,28)
InChIKeyQACHPWHACYJHGO-UHFFFAOYSA-N
XLogP3.42
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346578
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9348035
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 38126163
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9361796
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 9347048
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346296
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (CID 9348036) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is COc1cccc(N2CCN(CC(=O)Nc3cc(-c4ccc(C)cc4)no3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is QACHPWHACYJHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17-6-8-18(9-7-17)21-15-23(30-25-21)24-22(28)16-26-10-12-27(13-11-26)19-4-3-5-20(14-19)29-2/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,28).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 9348036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).