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

C21H17N3O3S — CID 24603333

IUPACN-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12
InChIInChI=1S/C21H17N3O3S/c1-11-8-9-18(28-11)17-10-15(19-12(2)24-27-21(19)23-17)20(26)22-16-7-5-4-6-14(16)13(3)25/h4-10H,1-3H3,(H,22,26)
InChIKeyNDKCHKBGVPJUQV-UHFFFAOYSA-N
MW391.45 g/mol
LogP5.02
Rot. Bonds4

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

N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24603333) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24603333
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12
InChIInChI=1S/C21H17N3O3S/c1-11-8-9-18(28-11)17-10-15(19-12(2)24-27-21(19)23-17)20(26)22-16-7-5-4-6-14(16)13(3)25/h4-10H,1-3H3,(H,22,26)
InChIKeyNDKCHKBGVPJUQV-UHFFFAOYSA-N
XLogP5.02
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetylphenyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24604979
N-(2,5-difluorophenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603273
N'-(furan-2-carbonyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 26048596
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
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-(3-fluoro-5-sulfamoylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56527749
methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24684252
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-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24591120
3-methyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24612649
N-(3-acetamido-4-fluorophenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24657821

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24603333) is N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12.
What is the InChIKey of N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NDKCHKBGVPJUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-11-8-9-18(28-11)17-10-15(19-12(2)24-27-21(19)23-17)20(26)22-16-7-5-4-6-14(16)13(3)25/h4-10H,1-3H3,(H,22,26).
What are the key properties of N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24603333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).