sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate

C11H10NNaO3 — CID 23686614

IUPACsodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate
SMILESCCC1(c2ccccc2)OC([O-])=NC1=O.[Na+]
InChIInChI=1S/C11H11NO3.Na/c1-2-11(8-6-4-3-5-7-8)9(13)12-10(14)15-11;/h3-7H,2H2,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyMATCWAFODDJQNN-UHFFFAOYSA-M
MW227.20 g/mol
LogP-2.43
Rot. Bonds2

About sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate

sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate (PubChem CID 23686614) has the molecular formula C11H10NNaO3 and a molecular weight of 227.20 g/mol. Its IUPAC name is sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate.

Molecular Properties

Compound Namesodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate
PubChem CID23686614
Molecular FormulaC11H10NNaO3
Molecular Weight227.20 g/mol
Exact Mass227.06
IUPAC Namesodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate
SMILESCCC1(c2ccccc2)OC([O-])=NC1=O.[Na+]
InChIInChI=1S/C11H11NO3.Na/c1-2-11(8-6-4-3-5-7-8)9(13)12-10(14)15-11;/h3-7H,2H2,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyMATCWAFODDJQNN-UHFFFAOYSA-M
XLogP-2.43
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 5-2.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate?
The IUPAC name of sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate (CID 23686614) is sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate.
What is the SMILES notation for sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate?
The canonical SMILES for sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate is CCC1(c2ccccc2)OC([O-])=NC1=O.[Na+].
What is the InChIKey of sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate?
The InChIKey is MATCWAFODDJQNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11NO3.Na/c1-2-11(8-6-4-3-5-7-8)9(13)12-10(14)15-11;/h3-7H,2H2,1H3,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate?
sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate has a molecular weight of 227.20 g/mol, XLogP of -2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate is sourced from PubChem (CID 23686614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).