N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H20N4O3S — CID 24588152

IUPACN-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)Cc3nc4ccccc4s3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C23H20N4O3S/c1-12-9-15(14(3)29-12)18-10-16(21-13(2)26-30-22(21)25-18)23(28)27(4)11-20-24-17-7-5-6-8-19(17)31-20/h5-10H,11H2,1-4H3
InChIKeyAZESKUVMWLWVLU-UHFFFAOYSA-N
MW432.51 g/mol
LogP5.29
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24588152) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24588152
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)Cc3nc4ccccc4s3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C23H20N4O3S/c1-12-9-15(14(3)29-12)18-10-16(21-13(2)26-30-22(21)25-18)23(28)27(4)11-20-24-17-7-5-6-8-19(17)31-20/h5-10H,11H2,1-4H3
InChIKeyAZESKUVMWLWVLU-UHFFFAOYSA-N
XLogP5.29
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 35700889
[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropan-2-yl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55541601
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47060180
(4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18145006
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374
6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119442897
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-phenoxyethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32934602
6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55869238
N-[2-(benzylamino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46437325
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18145099
[2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485511
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24588152) is N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)N(C)Cc3nc4ccccc4s3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AZESKUVMWLWVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-12-9-15(14(3)29-12)18-10-16(21-13(2)26-30-22(21)25-18)23(28)27(4)11-20-24-17-7-5-6-8-19(17)31-20/h5-10H,11H2,1-4H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24588152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).