5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole

C11H14NO2P — CID 3079421

IUPAC5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCP(C)(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H14NO2P/c1-15(2,13)11-8-10(12-14-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyWCEFMFNOBWCAEV-UHFFFAOYSA-N
MW223.21 g/mol
LogP2.76
Rot. Bonds2

About 5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole

5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 3079421) has the molecular formula C11H14NO2P and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID3079421
Molecular FormulaC11H14NO2P
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCP(C)(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H14NO2P/c1-15(2,13)11-8-10(12-14-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyWCEFMFNOBWCAEV-UHFFFAOYSA-N
XLogP2.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-Phenyl-2-isoxazoline-5-yl)phosphonic acid
CID 171639
Dimethyl (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonate
CID 209825
N,N,N',N'-Tetramethyl-P-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic diamide
CID 209826
Phosphonic acid, ((4,5-dihydro-3-phenyl-5-isoxazolyl)methyl)-
CID 3045053
Phosphinic acid, (4,5-dihydro-3-phenyl-5-isoxazolyl)methyl-, methyl ester
CID 3079420
Ethyl hydrogen (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonate
CID 3079422
(3-Benzyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
CID 3079439
Methyl(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
CID 3079447
Phosphonic acid, (3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl)-, dimethyl ester
CID 3079449
Phosphinic acid, (4,5-dihydro-3-(phenylmethyl)-5-isoxazolyl)methyl-, ammonium salt
CID 3079423
(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid--ammonia (1/2)
CID 3079427
5-(Fluoromethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102340041

Frequently Asked Questions

What is the IUPAC name of 5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole (CID 3079421) is 5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole is CP(C)(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of 5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is WCEFMFNOBWCAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2P/c1-15(2,13)11-8-10(12-14-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3.
What are the key properties of 5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole?
5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 223.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethylphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 3079421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).