5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate

C14H20N2O5 — CID 155255264

IUPAC5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1onc2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H20N2O5/c1-5-19-12(17)11-9-8-16(7-6-10(9)15-21-11)13(18)20-14(2,3)4/h5-8H2,1-4H3
InChIKeyVLYNHQQBYROWQT-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.14
Rot. Bonds2

About 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate

5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate (PubChem CID 155255264) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate
PubChem CID155255264
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1onc2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H20N2O5/c1-5-19-12(17)11-9-8-16(7-6-10(9)15-21-11)13(18)20-14(2,3)4/h5-8H2,1-4H3
InChIKeyVLYNHQQBYROWQT-UHFFFAOYSA-N
XLogP2.14
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate?
The IUPAC name of 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate (CID 155255264) is 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate.
What is the SMILES notation for 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate?
The canonical SMILES for 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate is CCOC(=O)c1onc2c1CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate?
The InChIKey is VLYNHQQBYROWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-5-19-12(17)11-9-8-16(7-6-10(9)15-21-11)13(18)20-14(2,3)4/h5-8H2,1-4H3.
What are the key properties of 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate?
5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate has a molecular weight of 296.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 3-O-ethyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxylate is sourced from PubChem (CID 155255264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).