4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

C23H26FN3O2 — CID 23723300

IUPAC4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCN(Cc4cccc(F)c4)CC3)c(C)o2)cc1
InChIInChI=1S/C23H26FN3O2/c1-17-22(25-23(29-17)19-6-8-21(28-2)9-7-19)16-27-12-10-26(11-13-27)15-18-4-3-5-20(24)14-18/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyHAIISKYDVPHGQW-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.12
Rot. Bonds6

About 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole (PubChem CID 23723300) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
PubChem CID23723300
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCN(Cc4cccc(F)c4)CC3)c(C)o2)cc1
InChIInChI=1S/C23H26FN3O2/c1-17-22(25-23(29-17)19-6-8-21(28-2)9-7-19)16-27-12-10-26(11-13-27)15-18-4-3-5-20(24)14-18/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyHAIISKYDVPHGQW-UHFFFAOYSA-N
XLogP4.12
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole (CID 23723300) is 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole is COc1ccc(-c2nc(CN3CCN(Cc4cccc(F)c4)CC3)c(C)o2)cc1.
What is the InChIKey of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The InChIKey is HAIISKYDVPHGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-17-22(25-23(29-17)19-6-8-21(28-2)9-7-19)16-27-12-10-26(11-13-27)15-18-4-3-5-20(24)14-18/h3-9,14H,10-13,15-16H2,1-2H3.
What are the key properties of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole has a molecular weight of 395.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 23723300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).