5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole

C11H14NO3P — CID 3079420

IUPAC5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOP(C)(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H14NO3P/c1-14-16(2,13)11-8-10(12-15-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyVYDPLFYZCKNFFO-UHFFFAOYSA-N
MW239.21 g/mol
LogP2.69
Rot. Bonds3

About 5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole

5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 3079420) has the molecular formula C11H14NO3P and a molecular weight of 239.21 g/mol. Its IUPAC name is 5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID3079420
Molecular FormulaC11H14NO3P
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Name5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCOP(C)(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H14NO3P/c1-14-16(2,13)11-8-10(12-15-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyVYDPLFYZCKNFFO-UHFFFAOYSA-N
XLogP2.69
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 52.69
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 5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole (CID 3079420) is 5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole is COP(C)(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of 5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is VYDPLFYZCKNFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO3P/c1-14-16(2,13)11-8-10(12-15-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3.
What are the key properties of 5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole?
5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 239.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(methyl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 3079420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).