6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile

C27H30N6O5 — CID 156862510

IUPAC6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1cc(OCC2CNC2)cc2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C27H30N6O5/c28-9-19-8-21(36-14-17-11-30-12-17)7-18-5-16(6-22(18)19)10-29-4-3-20-13-33(27(35)38-20)24-2-1-23-26(31-24)32-25(34)15-37-23/h1-2,7-8,16-17,20,29-30H,3-6,10-15H2,(H,31,32,34)
InChIKeyIPGUFGCGLXUDOJ-UHFFFAOYSA-N
MW518.57 g/mol
LogP1.60
Rot. Bonds9

About 6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile

6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 156862510) has the molecular formula C27H30N6O5 and a molecular weight of 518.57 g/mol. Its IUPAC name is 6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID156862510
Molecular FormulaC27H30N6O5
Molecular Weight518.57 g/mol
Exact Mass518.23
IUPAC Name6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESN#Cc1cc(OCC2CNC2)cc2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C27H30N6O5/c28-9-19-8-21(36-14-17-11-30-12-17)7-18-5-16(6-22(18)19)10-29-4-3-20-13-33(27(35)38-20)24-2-1-23-26(31-24)32-25(34)15-37-23/h1-2,7-8,16-17,20,29-30H,3-6,10-15H2,(H,31,32,34)
InChIKeyIPGUFGCGLXUDOJ-UHFFFAOYSA-N
XLogP1.60
TPSA137.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.57
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of 6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile (CID 156862510) is 6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for 6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for 6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile is N#Cc1cc(OCC2CNC2)cc2c1CC(CNCCC1CN(c3ccc4c(n3)NC(=O)CO4)C(=O)O1)C2.
What is the InChIKey of 6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is IPGUFGCGLXUDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O5/c28-9-19-8-21(36-14-17-11-30-12-17)7-18-5-16(6-22(18)19)10-29-4-3-20-13-33(27(35)38-20)24-2-1-23-26(31-24)32-25(34)15-37-23/h1-2,7-8,16-17,20,29-30H,3-6,10-15H2,(H,31,32,34).
What are the key properties of 6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile?
6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 518.57 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-ylmethoxy)-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 156862510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).