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

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

Analyze 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 with MolForge

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Related Compounds

tert-butyl N-[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]carbamate
CID 156861907
tert-butyl N-[(1S,2S)-4-chloro-2-[[2-[(5R)-2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 156862158
tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate
CID 171673664
tert-butyl N-methylcarbamate;6-[8-[[8-fluoro-2-(2-hydroxyethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 167514815
6-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid
CID 166759459
methanamine;2-[(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)amino]ethyl nitrite
CID 142601080
2-amino-N-[7-fluoro-2-[[2-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide
CID 167514439
tert-butyl N-[[5-[2-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]methyl]carbamate
CID 156862685
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
6-[5-[2-[(1-chloro-4-fluoro-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156862015
1-methyl-6-[3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazol-5-yl]propylamino]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 156861800
tert-butyl N-[2-[2-oxo-3-[3-oxo-4-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazino[2,3-b][1,4]oxazin-6-yl]-1,3-oxazolidin-5-yl]ethyl]carbamate
CID 167514932

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).