diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane

C13H16NO4PS — CID 29307

IUPACdiethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeySDMSCIWHRZJSRN-UHFFFAOYSA-N
MW313.31 g/mol
LogP4.02
Rot. Bonds7

About diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane

diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane (PubChem CID 29307) has the molecular formula C13H16NO4PS and a molecular weight of 313.31 g/mol. Its IUPAC name is diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
PubChem CID29307
Molecular FormulaC13H16NO4PS
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC Namediethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeySDMSCIWHRZJSRN-UHFFFAOYSA-N
XLogP4.02
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-5-phenylisoxazole
CID 136804
Isoxathion-oxon
CID 154897
(3-Methyl-5-phenyl-isoxazol-4-yl)-methanol
CID 2776519
Phosphorothioic acid, O,O-dimethyl O-(5-phenyl-3-isoxazolyl) ester
CID 197971
3-Methyl-5-phenyl-isoxazole-4-carbaldehyde
CID 2776516
Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester
CID 208501
Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl diethyl ester
CID 208504
Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl dimethyl ester
CID 208507
Phosphoric acid, dimethyl 5-phenyl-3-isoxazolyl ester
CID 210812
(5-Phenyl-1,2-oxazol-3-yl) methanesulfonate
CID 12371365
3-Ethyl-5-phenylisoxazole
CID 569998
5-Benzyl-3-methyl-1,2-oxazole
CID 10442178

Frequently Asked Questions

What is the IUPAC name of diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane (CID 29307) is diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1.
What is the InChIKey of diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane?
The InChIKey is SDMSCIWHRZJSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane?
diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane has a molecular weight of 313.31 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 29307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).