diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate

C17H19NO6 — CID 121316392

IUPACdiethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C17H19NO6/c1-3-21-16(19)15(17(20)22-4-2)13-10-14(18-24-13)23-11-12-8-6-5-7-9-12/h5-10,15H,3-4,11H2,1-2H3
InChIKeyRSCZCUQCZYICEX-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.46
Rot. Bonds8

About diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate

diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate (PubChem CID 121316392) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate
PubChem CID121316392
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Namediethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C17H19NO6/c1-3-21-16(19)15(17(20)22-4-2)13-10-14(18-24-13)23-11-12-8-6-5-7-9-12/h5-10,15H,3-4,11H2,1-2H3
InChIKeyRSCZCUQCZYICEX-UHFFFAOYSA-N
XLogP2.46
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate?
The IUPAC name of diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate (CID 121316392) is diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate.
What is the SMILES notation for diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate?
The canonical SMILES for diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate is CCOC(=O)C(C(=O)OCC)c1cc(OCc2ccccc2)no1.
What is the InChIKey of diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate?
The InChIKey is RSCZCUQCZYICEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-3-21-16(19)15(17(20)22-4-2)13-10-14(18-24-13)23-11-12-8-6-5-7-9-12/h5-10,15H,3-4,11H2,1-2H3.
What are the key properties of diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate?
diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate has a molecular weight of 333.34 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)propanedioate is sourced from PubChem (CID 121316392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).