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

C6H6LiNO3 — CID 155943585

IUPAClithium 5-ethyl-1,3-oxazole-2-carboxylate
SMILESCCc1cnc(C(=O)[O-])o1.[Li+]
InChIInChI=1S/C6H7NO3.Li/c1-2-4-3-7-5(10-4)6(8)9;/h3H,2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyQLHHETLFDQVRSV-UHFFFAOYSA-M
MW147.06 g/mol
LogP-3.40
Rot. Bonds2

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

lithium 5-ethyl-1,3-oxazole-2-carboxylate (PubChem CID 155943585) has the molecular formula C6H6LiNO3 and a molecular weight of 147.06 g/mol. Its IUPAC name is lithium 5-ethyl-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-ethyl-1,3-oxazole-2-carboxylate
PubChem CID155943585
Molecular FormulaC6H6LiNO3
Molecular Weight147.06 g/mol
Exact Mass147.05
IUPAC Namelithium 5-ethyl-1,3-oxazole-2-carboxylate
SMILESCCc1cnc(C(=O)[O-])o1.[Li+]
InChIInChI=1S/C6H7NO3.Li/c1-2-4-3-7-5(10-4)6(8)9;/h3H,2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyQLHHETLFDQVRSV-UHFFFAOYSA-M
XLogP-3.40
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.06
LogP ≤ 5-3.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 5-ethyl-1,3-oxazole-2-carboxylate?
The IUPAC name of lithium 5-ethyl-1,3-oxazole-2-carboxylate (CID 155943585) is lithium 5-ethyl-1,3-oxazole-2-carboxylate.
What is the SMILES notation for lithium 5-ethyl-1,3-oxazole-2-carboxylate?
The canonical SMILES for lithium 5-ethyl-1,3-oxazole-2-carboxylate is CCc1cnc(C(=O)[O-])o1.[Li+].
What is the InChIKey of lithium 5-ethyl-1,3-oxazole-2-carboxylate?
The InChIKey is QLHHETLFDQVRSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO3.Li/c1-2-4-3-7-5(10-4)6(8)9;/h3H,2H2,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 5-ethyl-1,3-oxazole-2-carboxylate?
lithium 5-ethyl-1,3-oxazole-2-carboxylate has a molecular weight of 147.06 g/mol, XLogP of -3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-ethyl-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 155943585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).