[2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C23H21N3O5 — CID 55485511

IUPAC[2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(-c2cc(C(=O)OCC(=O)NCc3ccccc3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C23H21N3O5/c1-13-9-17(15(3)30-13)19-10-18(21-14(2)26-31-22(21)25-19)23(28)29-12-20(27)24-11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,24,27)
InChIKeyZLZABVCJVMKVNS-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.88
Rot. Bonds6

About [2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

[2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 55485511) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID55485511
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name[2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(-c2cc(C(=O)OCC(=O)NCc3ccccc3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C23H21N3O5/c1-13-9-17(15(3)30-13)19-10-18(21-14(2)26-31-22(21)25-19)23(28)29-12-20(27)24-11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,24,27)
InChIKeyZLZABVCJVMKVNS-UHFFFAOYSA-N
XLogP3.88
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46437325
[2-oxo-2-(pentylamino)ethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35733201
6-(2,5-dimethylfuran-3-yl)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-phenoxyethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32934602
(4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18145006
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682070
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485429
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46695125
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24633874
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485514
3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119351483

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 55485511) is [2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1cc(-c2cc(C(=O)OCC(=O)NCc3ccccc3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is ZLZABVCJVMKVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-13-9-17(15(3)30-13)19-10-18(21-14(2)26-31-22(21)25-19)23(28)29-12-20(27)24-11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,24,27).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
[2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 419.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 55485511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).