lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid

C11H7F3LiNO3 — CID 174645713

IUPAClithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1onc(-c2ccccc2)c1C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C11H6F3NO3.Li.H/c12-11(13,14)7-8(6-4-2-1-3-5-6)15-18-9(7)10(16)17;;/h1-5H,(H,16,17);;/q;+1;-1
InChIKeyWFSUFGBMCRGVDN-UHFFFAOYSA-N
MW265.12 g/mol
LogP0.18
Rot. Bonds2

About lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid

lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 174645713) has the molecular formula C11H7F3LiNO3 and a molecular weight of 265.12 g/mol. Its IUPAC name is lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Namelithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid
PubChem CID174645713
Molecular FormulaC11H7F3LiNO3
Molecular Weight265.12 g/mol
Exact Mass265.05
IUPAC Namelithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1onc(-c2ccccc2)c1C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C11H6F3NO3.Li.H/c12-11(13,14)7-8(6-4-2-1-3-5-6)15-18-9(7)10(16)17;;/h1-5H,(H,16,17);;/q;+1;-1
InChIKeyWFSUFGBMCRGVDN-UHFFFAOYSA-N
XLogP0.18
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanone
CID 174726964
3,4-diphenyl-1,2-oxazole-5-carboxylic acid
CID 129078640
bis[3-(4-bromophenyl)-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
CID 174727062
(6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
CID 141298137
3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16788564
2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 67458957
4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 58537182
4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole
CID 10263127
5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 58374126
3-(2-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 131954829
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid (CID 174645713) is lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1onc(-c2ccccc2)c1C(F)(F)F.[H-].[Li+].
What is the InChIKey of lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is WFSUFGBMCRGVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3.Li.H/c12-11(13,14)7-8(6-4-2-1-3-5-6)15-18-9(7)10(16)17;;/h1-5H,(H,16,17);;/q;+1;-1.
What are the key properties of lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid?
lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 265.12 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 174645713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).