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Tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate

C16H21N5O6 — CID 166766667

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1=CN(c2cnc3c(n2)NC(=O)CO3)C(O)O1
InChIInChI=1S/C16H21N5O6/c1-16(2,3)27-14(23)17-5-4-9-7-21(15(24)26-9)10-6-18-13-12(19-10)20-11(22)8-25-13/h6-7,15,24H,4-5,8H2,1-3H3,(H,17,23)(H,19,20,22)
InChIKeyPHBOZJJNNBFFGL-UHFFFAOYSA-N
MW379.37 g/mol
LogP0.68
Rot. Bonds4

About Tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate

Tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate (PubChem CID 166766667) has the molecular formula C16H21N5O6 and a molecular weight of 379.37 g/mol. Its IUPAC name is tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound NameTert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate
PubChem CID166766667
Molecular FormulaC16H21N5O6
Molecular Weight379.37 g/mol
Exact Mass379.15
IUPAC Nametert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1=CN(c2cnc3c(n2)NC(=O)CO3)C(O)O1
InChIInChI=1S/C16H21N5O6/c1-16(2,3)27-14(23)17-5-4-9-7-21(15(24)26-9)10-6-18-13-12(19-10)20-11(22)8-25-13/h6-7,15,24H,4-5,8H2,1-3H3,(H,17,23)(H,19,20,22)
InChIKeyPHBOZJJNNBFFGL-UHFFFAOYSA-N
XLogP0.68
TPSA135.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate?
The IUPAC name of Tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate (CID 166766667) is tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate.
What is the SMILES notation for Tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate?
The canonical SMILES for Tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCC1=CN(c2cnc3c(n2)NC(=O)CO3)C(O)O1.
What is the InChIKey of Tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate?
The InChIKey is PHBOZJJNNBFFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O6/c1-16(2,3)27-14(23)17-5-4-9-7-21(15(24)26-9)10-6-18-13-12(19-10)20-11(22)8-25-13/h6-7,15,24H,4-5,8H2,1-3H3,(H,17,23)(H,19,20,22).
What are the key properties of Tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate?
Tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate has a molecular weight of 379.37 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 166766667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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