lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole

C6H10LiNO — CID 11804733

IUPAClithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole
SMILES[CH2-]C1=NC(C)(C)CO1.[Li+]
InChIInChI=1S/C6H10NO.Li/c1-5-7-6(2,3)4-8-5;/h1,4H2,2-3H3;/q-1;+1
InChIKeyXGBSQTAEZXYKBT-UHFFFAOYSA-N
MW119.09 g/mol
LogP-1.97
Rot. Bonds

About lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole

lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11804733) has the molecular formula C6H10LiNO and a molecular weight of 119.09 g/mol. Its IUPAC name is lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Namelithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11804733
Molecular FormulaC6H10LiNO
Molecular Weight119.09 g/mol
Exact Mass119.09
IUPAC Namelithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole
SMILES[CH2-]C1=NC(C)(C)CO1.[Li+]
InChIInChI=1S/C6H10NO.Li/c1-5-7-6(2,3)4-8-5;/h1,4H2,2-3H3;/q-1;+1
InChIKeyXGBSQTAEZXYKBT-UHFFFAOYSA-N
XLogP-1.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.09
LogP ≤ 5-1.97
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 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole (CID 11804733) is lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole is [CH2-]C1=NC(C)(C)CO1.[Li+].
What is the InChIKey of lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is XGBSQTAEZXYKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO.Li/c1-5-7-6(2,3)4-8-5;/h1,4H2,2-3H3;/q-1;+1.
What are the key properties of lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole?
lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 119.09 g/mol, XLogP of -1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methanidyl-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11804733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).