5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid

C16H11FN4O6S — CID 67243770

IUPAC5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cnc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCO3)n1
InChIInChI=1S/C16H11FN4O6S/c17-10-1-3-11(4-2-10)28(24,25)21-5-6-26-15-12(21)7-9(8-18-15)14-19-13(16(22)23)20-27-14/h1-4,7-8H,5-6H2,(H,22,23)
InChIKeyAROUPKRKPUMINQ-UHFFFAOYSA-N
MW406.35 g/mol
LogP1.56
Rot. Bonds4

About 5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid

5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 67243770) has the molecular formula C16H11FN4O6S and a molecular weight of 406.35 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID67243770
Molecular FormulaC16H11FN4O6S
Molecular Weight406.35 g/mol
Exact Mass406.04
IUPAC Name5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2cnc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCO3)n1
InChIInChI=1S/C16H11FN4O6S/c17-10-1-3-11(4-2-10)28(24,25)21-5-6-26-15-12(21)7-9(8-18-15)14-19-13(16(22)23)20-27-14/h1-4,7-8H,5-6H2,(H,22,23)
InChIKeyAROUPKRKPUMINQ-UHFFFAOYSA-N
XLogP1.56
TPSA135.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopentyl-5-(1-(4-fluorophenylsulfonyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1,2,4-oxadiazole-3-carboxamide
CID 44242731
N-tert-butyl-5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxamide
CID 44242732
5-(1-(4-fluorophenylsulfonyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1,2,4-oxadiazole-3-carbonyl chloride
CID 57896673
5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-N-(3-methoxypropyl)-1,2,4-oxadiazole-3-carboxamide
CID 57896681
Ethyl 5-(1-(4-fluorophenylsulfonyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1,2,4-oxadiazole-3-carboxylate
CID 57896723
[5-[1-(4-Fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazol-3-yl]-morpholin-4-ylmethanone
CID 57896757
1-(4-Fluorophenyl)sulfonyl-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 57896793
Ethyl 2-amino-2-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carbonyl]iminoacetate
CID 143869771
N-tert-butyl-5-[1-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxamide
CID 44242658
[5-[1-[(4-Fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazol-3-yl]-morpholin-4-ylmethanone
CID 44242727
5-[1-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-N-(3-methoxypropyl)-1,2,4-oxadiazole-3-carboxamide
CID 44242728
5-[1-[(4-Fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carbonyl chloride
CID 44242730

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid (CID 67243770) is 5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(-c2cnc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCO3)n1.
What is the InChIKey of 5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is AROUPKRKPUMINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O6S/c17-10-1-3-11(4-2-10)28(24,25)21-5-6-26-15-12(21)7-9(8-18-15)14-19-13(16(22)23)20-27-14/h1-4,7-8H,5-6H2,(H,22,23).
What are the key properties of 5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid?
5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 406.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 67243770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).