4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde

C15H14FN3O3 — CID 110647825

IUPAC4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cnoc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H14FN3O3/c16-12-3-1-11(2-4-12)14-13(9-17-22-14)15(21)19-7-5-18(10-20)6-8-19/h1-4,9-10H,5-8H2
InChIKeyDFTGFTIGAJJOLG-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.39
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde

4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 110647825) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID110647825
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cnoc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H14FN3O3/c16-12-3-1-11(2-4-12)14-13(9-17-22-14)15(21)19-7-5-18(10-20)6-8-19/h1-4,9-10H,5-8H2
InChIKeyDFTGFTIGAJJOLG-UHFFFAOYSA-N
XLogP1.39
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde (CID 110647825) is 4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2cnoc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is DFTGFTIGAJJOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-12-3-1-11(2-4-12)14-13(9-17-22-14)15(21)19-7-5-18(10-20)6-8-19/h1-4,9-10H,5-8H2.
What are the key properties of 4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde?
4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 303.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 110647825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).