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

C17H23N5O7 — CID 156861907

IUPACtert-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
SMILESCC(C)(C)OC(=O)NCC(O)CC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C17H23N5O7/c1-17(2,3)29-15(25)19-5-9(23)4-10-7-22(16(26)28-10)11-6-18-14-13(20-11)21-12(24)8-27-14/h6,9-10,23H,4-5,7-8H2,1-3H3,(H,19,25)(H,20,21,24)
InChIKeyYEXNYEUPDUADGX-UHFFFAOYSA-N
MW409.40 g/mol
LogP0.41
Rot. Bonds5

About 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

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 (PubChem CID 156861907) has the molecular formula C17H23N5O7 and a molecular weight of 409.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID156861907
Molecular FormulaC17H23N5O7
Molecular Weight409.40 g/mol
Exact Mass409.16
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)NCC(O)CC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C17H23N5O7/c1-17(2,3)29-15(25)19-5-9(23)4-10-7-22(16(26)28-10)11-6-18-14-13(20-11)21-12(24)8-27-14/h6,9-10,23H,4-5,7-8H2,1-3H3,(H,19,25)(H,20,21,24)
InChIKeyYEXNYEUPDUADGX-UHFFFAOYSA-N
XLogP0.41
TPSA152.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
formic acid;2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 166759653
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
6-[(5R)-5-[2-[[(6S)-4-fluoro-1-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 156862350
6-[(5R)-5-[2-[1-(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)ethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;formic acid
CID 166759761
6-[(5R)-5-[2-[[6-(2-amino-2-methylpropoxy)-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 156861855
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
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
N-ethyl-2-[[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]oxy]acetamide
CID 156861873
6-[(5S)-5-[[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 155162513
6-[5-[2-[2-(7-fluoro-1,4-dimethyl-2-oxoquinolin-8-yl)oxyethylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 142601074

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)NCC(O)CC1CN(c2cnc3c(n2)NC(=O)CO3)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is YEXNYEUPDUADGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O7/c1-17(2,3)29-15(25)19-5-9(23)4-10-7-22(16(26)28-10)11-6-18-14-13(20-11)21-12(24)8-27-14/h6,9-10,23H,4-5,7-8H2,1-3H3,(H,19,25)(H,20,21,24).
What are the key properties of 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?
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 has a molecular weight of 409.40 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156861907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).