sodium 5-phenyl-1,3-oxazole-2-carboxylate

C10H6NNaO3 — CID 71755872

IUPACsodium 5-phenyl-1,3-oxazole-2-carboxylate
SMILESO=C([O-])c1ncc(-c2ccccc2)o1.[Na+]
InChIInChI=1S/C10H7NO3.Na/c12-10(13)9-11-6-8(14-9)7-4-2-1-3-5-7;/h1-6H,(H,12,13);/q;+1/p-1
InChIKeyDJBVNWMORVQGEI-UHFFFAOYSA-M
MW211.15 g/mol
LogP-2.29
Rot. Bonds2

About sodium 5-phenyl-1,3-oxazole-2-carboxylate

sodium 5-phenyl-1,3-oxazole-2-carboxylate (PubChem CID 71755872) has the molecular formula C10H6NNaO3 and a molecular weight of 211.15 g/mol. Its IUPAC name is sodium 5-phenyl-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namesodium 5-phenyl-1,3-oxazole-2-carboxylate
PubChem CID71755872
Molecular FormulaC10H6NNaO3
Molecular Weight211.15 g/mol
Exact Mass211.02
IUPAC Namesodium 5-phenyl-1,3-oxazole-2-carboxylate
SMILESO=C([O-])c1ncc(-c2ccccc2)o1.[Na+]
InChIInChI=1S/C10H7NO3.Na/c12-10(13)9-11-6-8(14-9)7-4-2-1-3-5-7;/h1-6H,(H,12,13);/q;+1/p-1
InChIKeyDJBVNWMORVQGEI-UHFFFAOYSA-M
XLogP-2.29
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-2.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze sodium 5-phenyl-1,3-oxazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 5-phenyl-1,3-oxazole-2-carboxylate?
The IUPAC name of sodium 5-phenyl-1,3-oxazole-2-carboxylate (CID 71755872) is sodium 5-phenyl-1,3-oxazole-2-carboxylate.
What is the SMILES notation for sodium 5-phenyl-1,3-oxazole-2-carboxylate?
The canonical SMILES for sodium 5-phenyl-1,3-oxazole-2-carboxylate is O=C([O-])c1ncc(-c2ccccc2)o1.[Na+].
What is the InChIKey of sodium 5-phenyl-1,3-oxazole-2-carboxylate?
The InChIKey is DJBVNWMORVQGEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO3.Na/c12-10(13)9-11-6-8(14-9)7-4-2-1-3-5-7;/h1-6H,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 5-phenyl-1,3-oxazole-2-carboxylate?
sodium 5-phenyl-1,3-oxazole-2-carboxylate has a molecular weight of 211.15 g/mol, XLogP of -2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-phenyl-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 71755872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).