(2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C14H16N2O5 — CID 35732436

IUPAC(2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)OC(C)C)c2c(C)noc2n1
InChIInChI=1S/C14H16N2O5/c1-7(2)20-11(17)6-19-14(18)10-5-8(3)15-13-12(10)9(4)16-21-13/h5,7H,6H2,1-4H3
InChIKeyROGCAXPRKHQLHI-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.95
Rot. Bonds4

About (2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

(2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 35732436) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID35732436
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name(2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)OC(C)C)c2c(C)noc2n1
InChIInChI=1S/C14H16N2O5/c1-7(2)20-11(17)6-19-14(18)10-5-8(3)15-13-12(10)9(4)16-21-13/h5,7H,6H2,1-4H3
InChIKeyROGCAXPRKHQLHI-UHFFFAOYSA-N
XLogP1.95
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

(2-oxo-2-propan-2-yloxyethyl) 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35733259
(3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18132973
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18132967
ethyl 4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 36860748
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30096308
N-(1-hydroxy-3-methylpentan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171148123
1-[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 18160027
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30765095
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
CID 62627993
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107261244
N-[1-(4-ethoxyphenyl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930094
[2-[di(propan-2-yl)amino]-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681871

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 35732436) is (2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1cc(C(=O)OCC(=O)OC(C)C)c2c(C)noc2n1.
What is the InChIKey of (2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is ROGCAXPRKHQLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-7(2)20-11(17)6-19-14(18)10-5-8(3)15-13-12(10)9(4)16-21-13/h5,7H,6H2,1-4H3.
What are the key properties of (2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
(2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 35732436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).