lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate

C5H2F2LiNO3 — CID 167730778

IUPAClithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate
SMILESO=C([O-])c1ncoc1C(F)F.[Li+]
InChIInChI=1S/C5H3F2NO3.Li/c6-4(7)3-2(5(9)10)8-1-11-3;/h1,4H,(H,9,10);/q;+1/p-1
InChIKeyBFOIIDZZSFUVSG-UHFFFAOYSA-M
MW169.01 g/mol
LogP-3.02
Rot. Bonds2

About lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate

lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate (PubChem CID 167730778) has the molecular formula C5H2F2LiNO3 and a molecular weight of 169.01 g/mol. Its IUPAC name is lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namelithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate
PubChem CID167730778
Molecular FormulaC5H2F2LiNO3
Molecular Weight169.01 g/mol
Exact Mass169.02
IUPAC Namelithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate
SMILESO=C([O-])c1ncoc1C(F)F.[Li+]
InChIInChI=1S/C5H3F2NO3.Li/c6-4(7)3-2(5(9)10)8-1-11-3;/h1,4H,(H,9,10);/q;+1/p-1
InChIKeyBFOIIDZZSFUVSG-UHFFFAOYSA-M
XLogP-3.02
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.01
LogP ≤ 5-3.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate (CID 167730778) is lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate is O=C([O-])c1ncoc1C(F)F.[Li+].
What is the InChIKey of lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is BFOIIDZZSFUVSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3F2NO3.Li/c6-4(7)3-2(5(9)10)8-1-11-3;/h1,4H,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate?
lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 169.01 g/mol, XLogP of -3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-(difluoromethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 167730778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).