2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole

C11H13FNO4P — CID 67826392

IUPAC2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole
SMILESCOP(=O)(OC)N1OCC=C1c1ccc(F)cc1
InChIInChI=1S/C11H13FNO4P/c1-15-18(14,16-2)13-11(7-8-17-13)9-3-5-10(12)6-4-9/h3-7H,8H2,1-2H3
InChIKeyPFDVJRMOYDYMFS-UHFFFAOYSA-N
MW273.20 g/mol
LogP2.81
Rot. Bonds4

About 2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole

2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole (PubChem CID 67826392) has the molecular formula C11H13FNO4P and a molecular weight of 273.20 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole
PubChem CID67826392
Molecular FormulaC11H13FNO4P
Molecular Weight273.20 g/mol
Exact Mass273.06
IUPAC Name2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole
SMILESCOP(=O)(OC)N1OCC=C1c1ccc(F)cc1
InChIInChI=1S/C11H13FNO4P/c1-15-18(14,16-2)13-11(7-8-17-13)9-3-5-10(12)6-4-9/h3-7H,8H2,1-2H3
InChIKeyPFDVJRMOYDYMFS-UHFFFAOYSA-N
XLogP2.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole?
The IUPAC name of 2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole (CID 67826392) is 2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole.
What is the SMILES notation for 2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole?
The canonical SMILES for 2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole is COP(=O)(OC)N1OCC=C1c1ccc(F)cc1.
What is the InChIKey of 2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole?
The InChIKey is PFDVJRMOYDYMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FNO4P/c1-15-18(14,16-2)13-11(7-8-17-13)9-3-5-10(12)6-4-9/h3-7H,8H2,1-2H3.
What are the key properties of 2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole?
2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole has a molecular weight of 273.20 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole is sourced from PubChem (CID 67826392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).