N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H23FN4O4S — CID 26115917

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)c12
InChIInChI=1S/C24H23FN4O4S/c1-14-21-19(13-20(27-23(21)33-28-14)15-8-10-16(25)11-9-15)22(30)26-17-6-5-7-18(12-17)34(31,32)29-24(2,3)4/h5-13,29H,1-4H3,(H,26,30)
InChIKeyQGKFEBYPPIETKQ-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.67
Rot. Bonds5

About N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 26115917) has the molecular formula C24H23FN4O4S and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID26115917
Molecular FormulaC24H23FN4O4S
Molecular Weight482.54 g/mol
Exact Mass482.14
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)c12
InChIInChI=1S/C24H23FN4O4S/c1-14-21-19(13-20(27-23(21)33-28-14)15-8-10-16(25)11-9-15)22(30)26-17-6-5-7-18(12-17)34(31,32)29-24(2,3)4/h5-13,29H,1-4H3,(H,26,30)
InChIKeyQGKFEBYPPIETKQ-UHFFFAOYSA-N
XLogP4.67
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 26115917) is N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)c12.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QGKFEBYPPIETKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S/c1-14-21-19(13-20(27-23(21)33-28-14)15-8-10-16(25)11-9-15)22(30)26-17-6-5-7-18(12-17)34(31,32)29-24(2,3)4/h5-13,29H,1-4H3,(H,26,30).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 26115917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).