ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate

C23H21N3O5 — CID 24615573

IUPACethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1
InChIInChI=1S/C23H21N3O5/c1-5-29-23(28)15-6-8-16(9-7-15)24-21(27)18-11-19(17-10-12(2)30-14(17)4)25-22-20(18)13(3)26-31-22/h6-11H,5H2,1-4H3,(H,24,27)
InChIKeyQOKPNKUVDBVMRM-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.84
Rot. Bonds5

About ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate

ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate (PubChem CID 24615573) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate
PubChem CID24615573
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Nameethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1
InChIInChI=1S/C23H21N3O5/c1-5-29-23(28)15-6-8-16(9-7-15)24-21(27)18-11-19(17-10-12(2)30-14(17)4)25-22-20(18)13(3)26-31-22/h6-11H,5H2,1-4H3,(H,24,27)
InChIKeyQOKPNKUVDBVMRM-UHFFFAOYSA-N
XLogP4.84
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46698480
N-(3,5-dimethoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42089730
6-(2,5-dimethylfuran-3-yl)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-(propylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24617816
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26065308
3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119351483
N-(1-aminohexan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119666847
(4-methoxyphenyl) 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18145006
2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119349124
methyl 7-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]heptanoate
CID 36624558
[2-oxo-2-(pentylamino)ethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35733201

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate (CID 24615573) is ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1.
What is the InChIKey of ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate?
The InChIKey is QOKPNKUVDBVMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-5-29-23(28)15-6-8-16(9-7-15)24-21(27)18-11-19(17-10-12(2)30-14(17)4)25-22-20(18)13(3)26-31-22/h6-11H,5H2,1-4H3,(H,24,27).
What are the key properties of ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate?
ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate has a molecular weight of 419.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 24615573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).