CID 172815273

C16H13FLiN2O6 — CID 172815273

IUPAC—
SMILESCOC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2CO)no1.[Li]
InChIInChI=1S/C16H13FN2O6.Li/c1-22-16(21)12-6-14(18-24-12)23-8-11-13(7-20)25-19-15(11)9-2-4-10(17)5-3-9;/h2-6,20H,7-8H2,1H3;
InChIKeySSNOUFRAJVSJLS-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.95
Rot. Bonds6

About CID 172815273

CID 172815273 (PubChem CID 172815273) has the molecular formula C16H13FLiN2O6 and a molecular weight of 355.23 g/mol.

Molecular Properties

Compound NameCID 172815273
PubChem CID172815273
Molecular FormulaC16H13FLiN2O6
Molecular Weight355.23 g/mol
Exact Mass355.09
IUPAC Name—
SMILESCOC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2CO)no1.[Li]
InChIInChI=1S/C16H13FN2O6.Li/c1-22-16(21)12-6-14(18-24-12)23-8-11-13(7-20)25-19-15(11)9-2-4-10(17)5-3-9;/h2-6,20H,7-8H2,1H3;
InChIKeySSNOUFRAJVSJLS-UHFFFAOYSA-N
XLogP1.95
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492440
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834
6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 46928572
6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
CID 66718168
methyl 3-(3,3-difluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylate
CID 67777697
methyl 3-[(4-cyanophenyl)methoxy]-1,2-oxazole-5-carboxylate
CID 21471720
6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 46928967
5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide
CID 46944266
methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate
CID 68862151
3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
CID 59568484
1-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-3-methylbutan-1-one
CID 159461087

Frequently Asked Questions

What is the IUPAC name of CID 172815273?
The IUPAC name of CID 172815273 (CID 172815273) is not available.
What is the SMILES notation for CID 172815273?
The canonical SMILES for CID 172815273 is COC(=O)c1cc(OCc2c(-c3ccc(F)cc3)noc2CO)no1.[Li].
What is the InChIKey of CID 172815273?
The InChIKey is SSNOUFRAJVSJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O6.Li/c1-22-16(21)12-6-14(18-24-12)23-8-11-13(7-20)25-19-15(11)9-2-4-10(17)5-3-9;/h2-6,20H,7-8H2,1H3;.
What are the key properties of CID 172815273?
CID 172815273 has a molecular weight of 355.23 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172815273 is sourced from PubChem (CID 172815273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).