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

C11H13FNO4P — CID 3079449

IUPAC5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESCOP(=O)(OC)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C11H13FNO4P/c1-15-18(14,16-2)11-7-10(13-17-11)8-3-5-9(12)6-4-8/h3-6,11H,7H2,1-2H3
InChIKeyBFJMRQPHTVKBHB-UHFFFAOYSA-N
MW273.20 g/mol
LogP2.76
Rot. Bonds4

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

5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 3079449) has the molecular formula C11H13FNO4P and a molecular weight of 273.20 g/mol. Its IUPAC name is 5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID3079449
Molecular FormulaC11H13FNO4P
Molecular Weight273.20 g/mol
Exact Mass273.06
IUPAC Name5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESCOP(=O)(OC)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C11H13FNO4P/c1-15-18(14,16-2)11-7-10(13-17-11)8-3-5-9(12)6-4-8/h3-6,11H,7H2,1-2H3
InChIKeyBFJMRQPHTVKBHB-UHFFFAOYSA-N
XLogP2.76
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 3079449) is 5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is COP(=O)(OC)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is BFJMRQPHTVKBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FNO4P/c1-15-18(14,16-2)11-7-10(13-17-11)8-3-5-9(12)6-4-8/h3-6,11H,7H2,1-2H3.
What are the key properties of 5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 273.20 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxyphosphoryl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 3079449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).