5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole

C6H12NO4P — CID 58753111

IUPAC5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCOP(=O)(OC)C1CC(C)=NO1
InChIInChI=1S/C6H12NO4P/c1-5-4-6(11-7-5)12(8,9-2)10-3/h6H,4H2,1-3H3
InChIKeyYHKQORYFLZSETC-UHFFFAOYSA-N
MW193.14 g/mol
LogP1.59
Rot. Bonds3

About 5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole

5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 58753111) has the molecular formula C6H12NO4P and a molecular weight of 193.14 g/mol. Its IUPAC name is 5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID58753111
Molecular FormulaC6H12NO4P
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCOP(=O)(OC)C1CC(C)=NO1
InChIInChI=1S/C6H12NO4P/c1-5-4-6(11-7-5)12(8,9-2)10-3/h6H,4H2,1-3H3
InChIKeyYHKQORYFLZSETC-UHFFFAOYSA-N
XLogP1.59
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 51.59
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-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole (CID 58753111) is 5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole is COP(=O)(OC)C1CC(C)=NO1.
What is the InChIKey of 5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is YHKQORYFLZSETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO4P/c1-5-4-6(11-7-5)12(8,9-2)10-3/h6H,4H2,1-3H3.
What are the key properties of 5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole?
5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 193.14 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxyphosphoryl-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58753111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).