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

C11H12LiNO — CID 134844683

IUPAClithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole
SMILESCC1(C)N=C(c2[c-]cccc2)CO1.[Li+]
InChIInChI=1S/C11H12NO.Li/c1-11(2)12-10(8-13-11)9-6-4-3-5-7-9;/h3-6H,8H2,1-2H3;/q-1;+1
InChIKeyUZYBMRFUOVFPIE-UHFFFAOYSA-N
MW181.16 g/mol
LogP-0.95
Rot. Bonds1

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

lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole (PubChem CID 134844683) has the molecular formula C11H12LiNO and a molecular weight of 181.16 g/mol. Its IUPAC name is lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole.

Molecular Properties

Compound Namelithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole
PubChem CID134844683
Molecular FormulaC11H12LiNO
Molecular Weight181.16 g/mol
Exact Mass181.11
IUPAC Namelithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole
SMILESCC1(C)N=C(c2[c-]cccc2)CO1.[Li+]
InChIInChI=1S/C11H12NO.Li/c1-11(2)12-10(8-13-11)9-6-4-3-5-7-9;/h3-6H,8H2,1-2H3;/q-1;+1
InChIKeyUZYBMRFUOVFPIE-UHFFFAOYSA-N
XLogP-0.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-0.95
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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Related Compounds

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iridium;phenylbenzene
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lithium 2-phenyl-4,5-dihydro-1,3-oxazole
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4,4-dimethyl-2-phenyl-1,3-thiazin-5-one;iridium
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1,1-dimethyl-3-phenylisoindole;iridium
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CID 58982990
[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium;2,2,5,5-tetramethyl-4-phenyl-1,3-oxazin-6-one
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4,4-dimethyl-1-phenyl-3H-isoquinoline;iridium
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ethane;phenylbenzene;pyrimidine;1,3,5-triazine;(yttrium)
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Frequently Asked Questions

What is the IUPAC name of lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole?
The IUPAC name of lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole (CID 134844683) is lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole.
What is the SMILES notation for lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole?
The canonical SMILES for lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole is CC1(C)N=C(c2[c-]cccc2)CO1.[Li+].
What is the InChIKey of lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole?
The InChIKey is UZYBMRFUOVFPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO.Li/c1-11(2)12-10(8-13-11)9-6-4-3-5-7-9;/h3-6H,8H2,1-2H3;/q-1;+1.
What are the key properties of lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole?
lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole has a molecular weight of 181.16 g/mol, XLogP of -0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,2-dimethyl-4-phenyl-5H-1,3-oxazole is sourced from PubChem (CID 134844683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).