7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one

C13H16F2N2O2 — CID 90209182

IUPAC7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN1C(=O)C(F)(F)Oc2cc(C(C)(C)C)cnc21
InChIInChI=1S/C13H16F2N2O2/c1-5-17-10-9(19-13(14,15)11(17)18)6-8(7-16-10)12(2,3)4/h6-7H,5H2,1-4H3
InChIKeyMZCKBMWPFHZKLN-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.72
Rot. Bonds1

About 7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one

7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 90209182) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one
PubChem CID90209182
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN1C(=O)C(F)(F)Oc2cc(C(C)(C)C)cnc21
InChIInChI=1S/C13H16F2N2O2/c1-5-17-10-9(19-13(14,15)11(17)18)6-8(7-16-10)12(2,3)4/h6-7H,5H2,1-4H3
InChIKeyMZCKBMWPFHZKLN-UHFFFAOYSA-N
XLogP2.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one (CID 90209182) is 7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one is CCN1C(=O)C(F)(F)Oc2cc(C(C)(C)C)cnc21.
What is the InChIKey of 7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is MZCKBMWPFHZKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-5-17-10-9(19-13(14,15)11(17)18)6-8(7-16-10)12(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one?
7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 270.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-ethyl-2,2-difluoropyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 90209182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).