6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

C22H23ClN6O4 — CID 156861813

IUPAC6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESNC1c2cccc(Cl)c2CC1CN1CC(C2CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O2)C1
InChIInChI=1S/C22H23ClN6O4/c23-15-3-1-2-13-14(15)4-11(19(13)24)6-28-7-12(8-28)16-9-29(22(31)33-16)17-5-25-21-20(26-17)27-18(30)10-32-21/h1-3,5,11-12,16,19H,4,6-10,24H2,(H,26,27,30)
InChIKeyRNXHQTBTSGCNHQ-UHFFFAOYSA-N
MW470.92 g/mol
LogP1.59
Rot. Bonds4

About 6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 156861813) has the molecular formula C22H23ClN6O4 and a molecular weight of 470.92 g/mol. Its IUPAC name is 6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID156861813
Molecular FormulaC22H23ClN6O4
Molecular Weight470.92 g/mol
Exact Mass470.15
IUPAC Name6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESNC1c2cccc(Cl)c2CC1CN1CC(C2CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O2)C1
InChIInChI=1S/C22H23ClN6O4/c23-15-3-1-2-13-14(15)4-11(19(13)24)6-28-7-12(8-28)16-9-29(22(31)33-16)17-5-25-21-20(26-17)27-18(30)10-32-21/h1-3,5,11-12,16,19H,4,6-10,24H2,(H,26,27,30)
InChIKeyRNXHQTBTSGCNHQ-UHFFFAOYSA-N
XLogP1.59
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.92
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 156861813) is 6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is NC1c2cccc(Cl)c2CC1CN1CC(C2CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O2)C1.
What is the InChIKey of 6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is RNXHQTBTSGCNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O4/c23-15-3-1-2-13-14(15)4-11(19(13)24)6-28-7-12(8-28)16-9-29(22(31)33-16)17-5-25-21-20(26-17)27-18(30)10-32-21/h1-3,5,11-12,16,19H,4,6-10,24H2,(H,26,27,30).
What are the key properties of 6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 470.92 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[1-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methyl]azetidin-3-yl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 156861813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).