2-(azetidin-1-yl)-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]acetamide

C26H30FN7O5 — CID 167514646

IUPAC2-(azetidin-1-yl)-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]acetamide
SMILESO=C(CN1CCC1)Nc1cc(F)c2c(c1)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C26H30FN7O5/c27-20-9-17(30-22(35)13-33-4-1-5-33)8-16-6-15(7-19(16)20)10-28-3-2-18-12-34(26(37)39-18)21-11-29-25-24(31-21)32-23(36)14-38-25/h8-9,11,15,18,28H,1-7,10,12-14H2,(H,30,35)(H,31,32,36)
InChIKeyGILVJABPOPBFRB-UHFFFAOYSA-N
MW539.57 g/mol
LogP1.31
Rot. Bonds9

About 2-(azetidin-1-yl)-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]acetamide

2-(azetidin-1-yl)-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]acetamide (PubChem CID 167514646) has the molecular formula C26H30FN7O5 and a molecular weight of 539.57 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-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]acetamide.

Molecular Properties

Compound Name2-(azetidin-1-yl)-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]acetamide
PubChem CID167514646
Molecular FormulaC26H30FN7O5
Molecular Weight539.57 g/mol
Exact Mass539.23
IUPAC Name2-(azetidin-1-yl)-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]acetamide
SMILESO=C(CN1CCC1)Nc1cc(F)c2c(c1)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C26H30FN7O5/c27-20-9-17(30-22(35)13-33-4-1-5-33)8-16-6-15(7-19(16)20)10-28-3-2-18-12-34(26(37)39-18)21-11-29-25-24(31-21)32-23(36)14-38-25/h8-9,11,15,18,28H,1-7,10,12-14H2,(H,30,35)(H,31,32,36)
InChIKeyGILVJABPOPBFRB-UHFFFAOYSA-N
XLogP1.31
TPSA138.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.57
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(azetidin-1-yl)-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]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-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]acetamide?
The IUPAC name of 2-(azetidin-1-yl)-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]acetamide (CID 167514646) is 2-(azetidin-1-yl)-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]acetamide.
What is the SMILES notation for 2-(azetidin-1-yl)-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]acetamide?
The canonical SMILES for 2-(azetidin-1-yl)-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]acetamide is O=C(CN1CCC1)Nc1cc(F)c2c(c1)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2.
What is the InChIKey of 2-(azetidin-1-yl)-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]acetamide?
The InChIKey is GILVJABPOPBFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O5/c27-20-9-17(30-22(35)13-33-4-1-5-33)8-16-6-15(7-19(16)20)10-28-3-2-18-12-34(26(37)39-18)21-11-29-25-24(31-21)32-23(36)14-38-25/h8-9,11,15,18,28H,1-7,10,12-14H2,(H,30,35)(H,31,32,36).
What are the key properties of 2-(azetidin-1-yl)-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]acetamide?
2-(azetidin-1-yl)-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]acetamide has a molecular weight of 539.57 g/mol, XLogP of 1.31, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-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]acetamide is sourced from PubChem (CID 167514646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).