4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole

C23H27N3O4 — CID 56669146

IUPAC4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O4/c1-27-20-13-17(14-21(28-2)22(20)29-3)23-24-18(16-30-23)15-25-9-11-26(12-10-25)19-7-5-4-6-8-19/h4-8,13-14,16H,9-12,15H2,1-3H3
InChIKeyZTMUVHLMYMWQSI-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.69
Rot. Bonds7

About 4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole

4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole (PubChem CID 56669146) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
PubChem CID56669146
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O4/c1-27-20-13-17(14-21(28-2)22(20)29-3)23-24-18(16-30-23)15-25-9-11-26(12-10-25)19-7-5-4-6-8-19/h4-8,13-14,16H,9-12,15H2,1-3H3
InChIKeyZTMUVHLMYMWQSI-UHFFFAOYSA-N
XLogP3.69
TPSA60.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56675742
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 55591666
4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56665003
2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 15925601
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 55831124
2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 56672810
2,3-dimethoxy-5-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 82183738
2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82489230
1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 34181776
2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2653964
2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol
CID 18515724
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole (CID 56669146) is 4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole is COc1cc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc(OC)c1OC.
What is the InChIKey of 4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The InChIKey is ZTMUVHLMYMWQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-27-20-13-17(14-21(28-2)22(20)29-3)23-24-18(16-30-23)15-25-9-11-26(12-10-25)19-7-5-4-6-8-19/h4-8,13-14,16H,9-12,15H2,1-3H3.
What are the key properties of 4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole has a molecular weight of 409.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56669146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).