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

C18H19N3O5 — CID 46682004

IUPAC[2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCCCCNC(=O)COC(=O)c1cc(-c2ccco2)nc2onc(C)c12
InChIInChI=1S/C18H19N3O5/c1-3-4-7-19-15(22)10-25-18(23)12-9-13(14-6-5-8-24-14)20-17-16(12)11(2)21-26-17/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,19,22)
InChIKeyNXUKTFWQUUEFHA-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.86
Rot. Bonds7

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

[2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46682004) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is [2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID46682004
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name[2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCCCCNC(=O)COC(=O)c1cc(-c2ccco2)nc2onc(C)c12
InChIInChI=1S/C18H19N3O5/c1-3-4-7-19-15(22)10-25-18(23)12-9-13(14-6-5-8-24-14)20-17-16(12)11(2)21-26-17/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,19,22)
InChIKeyNXUKTFWQUUEFHA-UHFFFAOYSA-N
XLogP2.86
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

N-butyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46605297
6-(furan-2-yl)-N-hexyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46515720
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682070
N-ethyl-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47138995
[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
[2-oxo-2-(pentylamino)ethyl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35733201
(1,3-dioxoisoindol-2-yl)methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682221
N-butyl-6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315249
6-(furan-2-yl)-3-methyl-N-[3-(2-methylpropoxy)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18154321
N-ethyl-6-(furan-2-yl)-3-methyl-N-[2-(methylamino)-2-oxoethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47029268
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681757
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682037

Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 46682004) is [2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is CCCCNC(=O)COC(=O)c1cc(-c2ccco2)nc2onc(C)c12.
What is the InChIKey of [2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is NXUKTFWQUUEFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-4-7-19-15(22)10-25-18(23)12-9-13(14-6-5-8-24-14)20-17-16(12)11(2)21-26-17/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,19,22).
What are the key properties of [2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
[2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46682004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).