tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate

C11H16N2O3 — CID 167225462

IUPACtert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cnoc2C1
InChIInChI=1S/C11H16N2O3/c1-11(2,3)15-10(14)13-5-4-8-6-12-16-9(8)7-13/h6H,4-5,7H2,1-3H3
InChIKeyIDNMOXASANVKQP-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.97
Rot. Bonds

About tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate

tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 167225462) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
PubChem CID167225462
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nametert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cnoc2C1
InChIInChI=1S/C11H16N2O3/c1-11(2,3)15-10(14)13-5-4-8-6-12-16-9(8)7-13/h6H,4-5,7H2,1-3H3
InChIKeyIDNMOXASANVKQP-UHFFFAOYSA-N
XLogP1.97
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate (CID 167225462) is tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2cnoc2C1.
What is the InChIKey of tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is IDNMOXASANVKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)15-10(14)13-5-4-8-6-12-16-9(8)7-13/h6H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 167225462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).