lithium 2-phenyl-4,5-dihydro-1,3-oxazole

C9H8LiNO — CID 25258689

IUPAClithium 2-phenyl-4,5-dihydro-1,3-oxazole
SMILES[Li+].[c-]1ccccc1C1=NCCO1
InChIInChI=1S/C9H8NO.Li/c1-2-4-8(5-3-1)9-10-6-7-11-9;/h1-4H,6-7H2;/q-1;+1
InChIKeyPHFRODXDGXLPCL-UHFFFAOYSA-N
MW153.11 g/mol
LogP-1.73
Rot. Bonds1

About lithium 2-phenyl-4,5-dihydro-1,3-oxazole

lithium 2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 25258689) has the molecular formula C9H8LiNO and a molecular weight of 153.11 g/mol. Its IUPAC name is lithium 2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Namelithium 2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID25258689
Molecular FormulaC9H8LiNO
Molecular Weight153.11 g/mol
Exact Mass153.08
IUPAC Namelithium 2-phenyl-4,5-dihydro-1,3-oxazole
SMILES[Li+].[c-]1ccccc1C1=NCCO1
InChIInChI=1S/C9H8NO.Li/c1-2-4-8(5-3-1)9-10-6-7-11-9;/h1-4H,6-7H2;/q-1;+1
InChIKeyPHFRODXDGXLPCL-UHFFFAOYSA-N
XLogP-1.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.11
LogP ≤ 5-1.73
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-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of lithium 2-phenyl-4,5-dihydro-1,3-oxazole (CID 25258689) is lithium 2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for lithium 2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for lithium 2-phenyl-4,5-dihydro-1,3-oxazole is [Li+].[c-]1ccccc1C1=NCCO1.
What is the InChIKey of lithium 2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is PHFRODXDGXLPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO.Li/c1-2-4-8(5-3-1)9-10-6-7-11-9;/h1-4H,6-7H2;/q-1;+1.
What are the key properties of lithium 2-phenyl-4,5-dihydro-1,3-oxazole?
lithium 2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 153.11 g/mol, XLogP of -1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 25258689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).