[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C28H23N3O5 — CID 46682071

IUPAC[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1ccc(C)c(NC(=O)C(OC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c2ccccc2)c1
InChIInChI=1S/C28H23N3O5/c1-16-11-12-17(2)21(14-16)29-26(32)25(19-8-5-4-6-9-19)35-28(33)20-15-22(23-10-7-13-34-23)30-27-24(20)18(3)31-36-27/h4-15,25H,1-3H3,(H,29,32)
InChIKeyFKUOBJSPNPHQGZ-UHFFFAOYSA-N
MW481.51 g/mol
LogP5.94
Rot. Bonds6

About [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46682071) has the molecular formula C28H23N3O5 and a molecular weight of 481.51 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID46682071
Molecular FormulaC28H23N3O5
Molecular Weight481.51 g/mol
Exact Mass481.16
IUPAC Name[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1ccc(C)c(NC(=O)C(OC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c2ccccc2)c1
InChIInChI=1S/C28H23N3O5/c1-16-11-12-17(2)21(14-16)29-26(32)25(19-8-5-4-6-9-19)35-28(33)20-15-22(23-10-7-13-34-23)30-27-24(20)18(3)31-36-27/h4-15,25H,1-3H3,(H,29,32)
InChIKeyFKUOBJSPNPHQGZ-UHFFFAOYSA-N
XLogP5.94
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 7486663
methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate
CID 18133291
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55563261
6-(furan-2-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854607
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate
CID 46648968
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 42963212
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 5-chloro-2-fluorobenzoate
CID 8620075
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55484811
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35732647
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
CID 7478355
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510726

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 46682071) is [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1ccc(C)c(NC(=O)C(OC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c2ccccc2)c1.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is FKUOBJSPNPHQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O5/c1-16-11-12-17(2)21(14-16)29-26(32)25(19-8-5-4-6-9-19)35-28(33)20-15-22(23-10-7-13-34-23)30-27-24(20)18(3)31-36-27/h4-15,25H,1-3H3,(H,29,32).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 481.51 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46682071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).