N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H15FN4O4S2 — CID 56527749

IUPACN-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)c3c(C)noc3n2)s1
InChIInChI=1S/C19H15FN4O4S2/c1-9-3-4-16(29-9)15-8-14(17-10(2)24-28-19(17)23-15)18(25)22-12-5-11(20)6-13(7-12)30(21,26)27/h3-8H,1-2H3,(H,22,25)(H2,21,26,27)
InChIKeyHDFVKBOJHDDOJN-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.61
Rot. Bonds4

About N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56527749) has the molecular formula C19H15FN4O4S2 and a molecular weight of 446.49 g/mol. Its IUPAC name is N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID56527749
Molecular FormulaC19H15FN4O4S2
Molecular Weight446.49 g/mol
Exact Mass446.05
IUPAC NameN-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)c3c(C)noc3n2)s1
InChIInChI=1S/C19H15FN4O4S2/c1-9-3-4-16(29-9)15-8-14(17-10(2)24-28-19(17)23-15)18(25)22-12-5-11(20)6-13(7-12)30(21,26)27/h3-8H,1-2H3,(H,22,25)(H2,21,26,27)
InChIKeyHDFVKBOJHDDOJN-UHFFFAOYSA-N
XLogP3.61
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603273
N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603333
N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416
3-methyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24612649
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
CID 52576468
3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24612729
N'-(furan-2-carbonyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 26048596
N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26115917
N-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821854
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30134614
3-methyl-6-phenyl-N-[4-(sulfamoylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55553192
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47045278

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 56527749) is N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)c3c(C)noc3n2)s1.
What is the InChIKey of N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HDFVKBOJHDDOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S2/c1-9-3-4-16(29-9)15-8-14(17-10(2)24-28-19(17)23-15)18(25)22-12-5-11(20)6-13(7-12)30(21,26)27/h3-8H,1-2H3,(H,22,25)(H2,21,26,27).
What are the key properties of N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56527749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).