lithium 5-benzyl-1,3-oxazole-2-carboxylate

C11H8LiNO3 — CID 119031047

IUPAClithium 5-benzyl-1,3-oxazole-2-carboxylate
SMILESO=C([O-])c1ncc(Cc2ccccc2)o1.[Li+]
InChIInChI=1S/C11H9NO3.Li/c13-11(14)10-12-7-9(15-10)6-8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,13,14);/q;+1/p-1
InChIKeyPRQIOVFMMIKFOZ-UHFFFAOYSA-M
MW209.13 g/mol
LogP-2.37
Rot. Bonds3

About lithium 5-benzyl-1,3-oxazole-2-carboxylate

lithium 5-benzyl-1,3-oxazole-2-carboxylate (PubChem CID 119031047) has the molecular formula C11H8LiNO3 and a molecular weight of 209.13 g/mol. Its IUPAC name is lithium 5-benzyl-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-benzyl-1,3-oxazole-2-carboxylate
PubChem CID119031047
Molecular FormulaC11H8LiNO3
Molecular Weight209.13 g/mol
Exact Mass209.07
IUPAC Namelithium 5-benzyl-1,3-oxazole-2-carboxylate
SMILESO=C([O-])c1ncc(Cc2ccccc2)o1.[Li+]
InChIInChI=1S/C11H9NO3.Li/c13-11(14)10-12-7-9(15-10)6-8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,13,14);/q;+1/p-1
InChIKeyPRQIOVFMMIKFOZ-UHFFFAOYSA-M
XLogP-2.37
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 5-2.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 5-benzyl-1,3-oxazole-2-carboxylate?
The IUPAC name of lithium 5-benzyl-1,3-oxazole-2-carboxylate (CID 119031047) is lithium 5-benzyl-1,3-oxazole-2-carboxylate.
What is the SMILES notation for lithium 5-benzyl-1,3-oxazole-2-carboxylate?
The canonical SMILES for lithium 5-benzyl-1,3-oxazole-2-carboxylate is O=C([O-])c1ncc(Cc2ccccc2)o1.[Li+].
What is the InChIKey of lithium 5-benzyl-1,3-oxazole-2-carboxylate?
The InChIKey is PRQIOVFMMIKFOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO3.Li/c13-11(14)10-12-7-9(15-10)6-8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 5-benzyl-1,3-oxazole-2-carboxylate?
lithium 5-benzyl-1,3-oxazole-2-carboxylate has a molecular weight of 209.13 g/mol, XLogP of -2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-benzyl-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 119031047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).