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

C19H13F2N3O2S — CID 24603273

IUPACN-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)c3c(C)noc3n2)s1
InChIInChI=1S/C19H13F2N3O2S/c1-9-3-6-16(27-9)15-8-12(17-10(2)24-26-19(17)23-15)18(25)22-14-7-11(20)4-5-13(14)21/h3-8H,1-2H3,(H,22,25)
InChIKeyDNEGVHSXJVLLDZ-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.10
Rot. Bonds3

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

N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24603273) has the molecular formula C19H13F2N3O2S and a molecular weight of 385.40 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24603273
Molecular FormulaC19H13F2N3O2S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC NameN-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)c3c(C)noc3n2)s1
InChIInChI=1S/C19H13F2N3O2S/c1-9-3-6-16(27-9)15-8-12(17-10(2)24-26-19(17)23-15)18(25)22-14-7-11(20)4-5-13(14)21/h3-8H,1-2H3,(H,22,25)
InChIKeyDNEGVHSXJVLLDZ-UHFFFAOYSA-N
XLogP5.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603333
N-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56527749
3-methyl-6-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46687764
N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416
N-(3-acetamido-4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24656120
N-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821854
N-(3-acetamido-4-fluorophenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24657821
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
CID 52576468
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
methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate
CID 24660830
N'-(furan-2-carbonyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 26048596
6-(4-fluorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051444

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24603273) is N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)c3c(C)noc3n2)s1.
What is the InChIKey of N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DNEGVHSXJVLLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2S/c1-9-3-6-16(27-9)15-8-12(17-10(2)24-26-19(17)23-15)18(25)22-14-7-11(20)4-5-13(14)21/h3-8H,1-2H3,(H,22,25).
What are the key properties of N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24603273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).