lithium 4,5-dihydro-2H-1,3-oxazol-2-ide

C3H4LiNO — CID 173421907

IUPAClithium 4,5-dihydro-2H-1,3-oxazol-2-ide
SMILES[C-]1=NCCO1.[Li+]
InChIInChI=1S/C3H4NO.Li/c1-2-5-3-4-1;/h1-2H2;/q-1;+1
InChIKeyATWSEFANNYPVHW-UHFFFAOYSA-N
MW77.01 g/mol
LogP-3.07
Rot. Bonds

About lithium 4,5-dihydro-2H-1,3-oxazol-2-ide

lithium 4,5-dihydro-2H-1,3-oxazol-2-ide (PubChem CID 173421907) has the molecular formula C3H4LiNO and a molecular weight of 77.01 g/mol. Its IUPAC name is lithium 4,5-dihydro-2H-1,3-oxazol-2-ide.

Molecular Properties

Compound Namelithium 4,5-dihydro-2H-1,3-oxazol-2-ide
PubChem CID173421907
Molecular FormulaC3H4LiNO
Molecular Weight77.01 g/mol
Exact Mass77.05
IUPAC Namelithium 4,5-dihydro-2H-1,3-oxazol-2-ide
SMILES[C-]1=NCCO1.[Li+]
InChIInChI=1S/C3H4NO.Li/c1-2-5-3-4-1;/h1-2H2;/q-1;+1
InChIKeyATWSEFANNYPVHW-UHFFFAOYSA-N
XLogP-3.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.01
LogP ≤ 5-3.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 4,5-dihydro-2H-1,3-oxazol-2-ide?
The IUPAC name of lithium 4,5-dihydro-2H-1,3-oxazol-2-ide (CID 173421907) is lithium 4,5-dihydro-2H-1,3-oxazol-2-ide.
What is the SMILES notation for lithium 4,5-dihydro-2H-1,3-oxazol-2-ide?
The canonical SMILES for lithium 4,5-dihydro-2H-1,3-oxazol-2-ide is [C-]1=NCCO1.[Li+].
What is the InChIKey of lithium 4,5-dihydro-2H-1,3-oxazol-2-ide?
The InChIKey is ATWSEFANNYPVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4NO.Li/c1-2-5-3-4-1;/h1-2H2;/q-1;+1.
What are the key properties of lithium 4,5-dihydro-2H-1,3-oxazol-2-ide?
lithium 4,5-dihydro-2H-1,3-oxazol-2-ide has a molecular weight of 77.01 g/mol, XLogP of -3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4,5-dihydro-2H-1,3-oxazol-2-ide is sourced from PubChem (CID 173421907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).