3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione

C18H13FN2O3 — CID 69138921

IUPAC3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione
SMILESO=C(Cc1cnc(Cc2ccc(F)cc2)o1)C(=O)c1ccccn1
InChIInChI=1S/C18H13FN2O3/c19-13-6-4-12(5-7-13)9-17-21-11-14(24-17)10-16(22)18(23)15-3-1-2-8-20-15/h1-8,11H,9-10H2
InChIKeyRULHZAPECAMRNP-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.79
Rot. Bonds6

About 3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione

3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione (PubChem CID 69138921) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione
PubChem CID69138921
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione
SMILESO=C(Cc1cnc(Cc2ccc(F)cc2)o1)C(=O)c1ccccn1
InChIInChI=1S/C18H13FN2O3/c19-13-6-4-12(5-7-13)9-17-21-11-14(24-17)10-16(22)18(23)15-3-1-2-8-20-15/h1-8,11H,9-10H2
InChIKeyRULHZAPECAMRNP-UHFFFAOYSA-N
XLogP2.79
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione (CID 69138921) is 3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione is O=C(Cc1cnc(Cc2ccc(F)cc2)o1)C(=O)c1ccccn1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione?
The InChIKey is RULHZAPECAMRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c19-13-6-4-12(5-7-13)9-17-21-11-14(24-17)10-16(22)18(23)15-3-1-2-8-20-15/h1-8,11H,9-10H2.
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione?
3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione has a molecular weight of 324.31 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione is sourced from PubChem (CID 69138921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).