N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C19H12N4O3S — CID 112812456

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)cc12
InChIInChI=1S/C19H12N4O3S/c1-10-13-6-12(8-20-18(13)26-23-10)17(24)22-19-21-14(9-27-19)16-7-11-4-2-3-5-15(11)25-16/h2-9H,1H3,(H,21,22,24)
InChIKeyQYXIHGDVEXINHM-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.65
Rot. Bonds3

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 112812456) has the molecular formula C19H12N4O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID112812456
Molecular FormulaC19H12N4O3S
Molecular Weight376.40 g/mol
Exact Mass376.06
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)cc12
InChIInChI=1S/C19H12N4O3S/c1-10-13-6-12(8-20-18(13)26-23-10)17(24)22-19-21-14(9-27-19)16-7-11-4-2-3-5-15(11)25-16/h2-9H,1H3,(H,21,22,24)
InChIKeyQYXIHGDVEXINHM-UHFFFAOYSA-N
XLogP4.65
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
CID 27991229
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60528485
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-benzoylbenzamide
CID 2322213
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 8702490
1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78865591
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 25319317
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 8702507
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2322219
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 25319225
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(propan-2-ylsulfamoyl)benzamide
CID 41255414
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33004368

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 112812456) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)cc12.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is QYXIHGDVEXINHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O3S/c1-10-13-6-12(8-20-18(13)26-23-10)17(24)22-19-21-14(9-27-19)16-7-11-4-2-3-5-15(11)25-16/h2-9H,1H3,(H,21,22,24).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 112812456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).