lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate

C19H19LiN2O8 — CID 159145019

IUPAClithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate
SMILESCc1ccc2oc(C)nc2c1.Cc1nc2ccccc2o1.O.O=C=O.O=C=O.[Li+].[OH-]
InChIInChI=1S/C9H9NO.C8H7NO.2CO2.Li.2H2O/c1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-9-7-4-2-3-5-8(7)10-6;2*2-1-3;;;/h3-5H,1-2H3;2-5H,1H3;;;;2*1H2/q;;;;+1;;/p-1
InChIKeyLUUZTHOVZNXOGF-UHFFFAOYSA-M
MW410.31 g/mol
LogP-0.58
Rot. Bonds

About lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate

lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate (PubChem CID 159145019) has the molecular formula C19H19LiN2O8 and a molecular weight of 410.31 g/mol. Its IUPAC name is lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate
PubChem CID159145019
Molecular FormulaC19H19LiN2O8
Molecular Weight410.31 g/mol
Exact Mass410.13
IUPAC Namelithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate
SMILESCc1ccc2oc(C)nc2c1.Cc1nc2ccccc2o1.O.O=C=O.O=C=O.[Li+].[OH-]
InChIInChI=1S/C9H9NO.C8H7NO.2CO2.Li.2H2O/c1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-9-7-4-2-3-5-8(7)10-6;2*2-1-3;;;/h3-5H,1-2H3;2-5H,1H3;;;;2*1H2/q;;;;+1;;/p-1
InChIKeyLUUZTHOVZNXOGF-UHFFFAOYSA-M
XLogP-0.58
TPSA181.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
2-methyl-1,3-benzoxazole;prop-1-ene
CID 178101004
2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610489
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole
CID 91410269
2-methyl-1,3-benzoxazole-5-sulfonamide
CID 43173624
2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610547
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
2-methyl-1,3-benzoxazole-5-thiol
CID 83529189

Frequently Asked Questions

What is the IUPAC name of lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate?
The IUPAC name of lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate (CID 159145019) is lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate.
What is the SMILES notation for lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate?
The canonical SMILES for lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate is Cc1ccc2oc(C)nc2c1.Cc1nc2ccccc2o1.O.O=C=O.O=C=O.[Li+].[OH-].
What is the InChIKey of lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate?
The InChIKey is LUUZTHOVZNXOGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9NO.C8H7NO.2CO2.Li.2H2O/c1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-9-7-4-2-3-5-8(7)10-6;2*2-1-3;;;/h3-5H,1-2H3;2-5H,1H3;;;;2*1H2/q;;;;+1;;/p-1.
What are the key properties of lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate?
lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate has a molecular weight of 410.31 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate is sourced from PubChem (CID 159145019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).