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

C5H4LiNO3 — CID 119031784

IUPAClithium 5-methyl-1,3-oxazole-2-carboxylate
SMILESCc1cnc(C(=O)[O-])o1.[Li+]
InChIInChI=1S/C5H5NO3.Li/c1-3-2-6-4(9-3)5(7)8;/h2H,1H3,(H,7,8);/q;+1/p-1
InChIKeyNOSIKVDFPLHGBD-UHFFFAOYSA-M
MW133.03 g/mol
LogP-3.65
Rot. Bonds1

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

lithium 5-methyl-1,3-oxazole-2-carboxylate (PubChem CID 119031784) has the molecular formula C5H4LiNO3 and a molecular weight of 133.03 g/mol. Its IUPAC name is lithium 5-methyl-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-methyl-1,3-oxazole-2-carboxylate
PubChem CID119031784
Molecular FormulaC5H4LiNO3
Molecular Weight133.03 g/mol
Exact Mass133.04
IUPAC Namelithium 5-methyl-1,3-oxazole-2-carboxylate
SMILESCc1cnc(C(=O)[O-])o1.[Li+]
InChIInChI=1S/C5H5NO3.Li/c1-3-2-6-4(9-3)5(7)8;/h2H,1H3,(H,7,8);/q;+1/p-1
InChIKeyNOSIKVDFPLHGBD-UHFFFAOYSA-M
XLogP-3.65
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.03
LogP ≤ 5-3.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 5-methyl-1,3-oxazole-2-carboxylate?
The IUPAC name of lithium 5-methyl-1,3-oxazole-2-carboxylate (CID 119031784) is lithium 5-methyl-1,3-oxazole-2-carboxylate.
What is the SMILES notation for lithium 5-methyl-1,3-oxazole-2-carboxylate?
The canonical SMILES for lithium 5-methyl-1,3-oxazole-2-carboxylate is Cc1cnc(C(=O)[O-])o1.[Li+].
What is the InChIKey of lithium 5-methyl-1,3-oxazole-2-carboxylate?
The InChIKey is NOSIKVDFPLHGBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO3.Li/c1-3-2-6-4(9-3)5(7)8;/h2H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of lithium 5-methyl-1,3-oxazole-2-carboxylate?
lithium 5-methyl-1,3-oxazole-2-carboxylate has a molecular weight of 133.03 g/mol, XLogP of -3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-methyl-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 119031784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).