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

C27H26FN3O — CID 126494910

IUPAC2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole
SMILESFc1ccccc1CN1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C27H26FN3O/c28-24-14-8-7-13-23(24)19-30-15-17-31(18-16-30)20-25-29-26(21-9-3-1-4-10-21)27(32-25)22-11-5-2-6-12-22/h1-14H,15-20H2
InChIKeyXQFQLEGMODXRSH-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.47
Rot. Bonds6

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

2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole (PubChem CID 126494910) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole
PubChem CID126494910
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC Name2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole
SMILESFc1ccccc1CN1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C27H26FN3O/c28-24-14-8-7-13-23(24)19-30-15-17-31(18-16-30)20-25-29-26(21-9-3-1-4-10-21)27(32-25)22-11-5-2-6-12-22/h1-14H,15-20H2
InChIKeyXQFQLEGMODXRSH-UHFFFAOYSA-N
XLogP5.47
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole (CID 126494910) is 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole is Fc1ccccc1CN1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole?
The InChIKey is XQFQLEGMODXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O/c28-24-14-8-7-13-23(24)19-30-15-17-31(18-16-30)20-25-29-26(21-9-3-1-4-10-21)27(32-25)22-11-5-2-6-12-22/h1-14H,15-20H2.
What are the key properties of 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole?
2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole has a molecular weight of 427.52 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 126494910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).