6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C22H24N4O4 — CID 156862406

IUPAC6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3CC(CCNCC4Cc5ccccc5C4)OC3=O)nc2N1
InChIInChI=1S/C22H24N4O4/c27-20-13-29-18-5-6-19(24-21(18)25-20)26-12-17(30-22(26)28)7-8-23-11-14-9-15-3-1-2-4-16(15)10-14/h1-6,14,17,23H,7-13H2,(H,24,25,27)
InChIKeyJZFBPMAIHOMKKF-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.13
Rot. Bonds6

About 6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 156862406) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID156862406
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3CC(CCNCC4Cc5ccccc5C4)OC3=O)nc2N1
InChIInChI=1S/C22H24N4O4/c27-20-13-29-18-5-6-19(24-21(18)25-20)26-12-17(30-22(26)28)7-8-23-11-14-9-15-3-1-2-4-16(15)10-14/h1-6,14,17,23H,7-13H2,(H,24,25,27)
InChIKeyJZFBPMAIHOMKKF-UHFFFAOYSA-N
XLogP2.13
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 156862406) is 6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(N3CC(CCNCC4Cc5ccccc5C4)OC3=O)nc2N1.
What is the InChIKey of 6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is JZFBPMAIHOMKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-20-13-29-18-5-6-19(24-21(18)25-20)26-12-17(30-22(26)28)7-8-23-11-14-9-15-3-1-2-4-16(15)10-14/h1-6,14,17,23H,7-13H2,(H,24,25,27).
What are the key properties of 6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 408.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 156862406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).