2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide

C22H20N4O3 — CID 162644609

IUPAC2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cc(-c2cnc3ccccc3n2)oc1=O
InChIInChI=1S/C22H20N4O3/c27-21(23-13-7-6-10-16-8-2-1-3-9-16)26-15-20(29-22(26)28)19-14-24-17-11-4-5-12-18(17)25-19/h1-5,8-9,11-12,14-15H,6-7,10,13H2,(H,23,27)
InChIKeyXRLIIHSNDOGBIV-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.63
Rot. Bonds6

About 2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide

2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide (PubChem CID 162644609) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide
PubChem CID162644609
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cc(-c2cnc3ccccc3n2)oc1=O
InChIInChI=1S/C22H20N4O3/c27-21(23-13-7-6-10-16-8-2-1-3-9-16)26-15-20(29-22(26)28)19-14-24-17-11-4-5-12-18(17)25-19/h1-5,8-9,11-12,14-15H,6-7,10,13H2,(H,23,27)
InChIKeyXRLIIHSNDOGBIV-UHFFFAOYSA-N
XLogP3.63
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide (CID 162644609) is 2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide is O=C(NCCCCc1ccccc1)n1cc(-c2cnc3ccccc3n2)oc1=O.
What is the InChIKey of 2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide?
The InChIKey is XRLIIHSNDOGBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-21(23-13-7-6-10-16-8-2-1-3-9-16)26-15-20(29-22(26)28)19-14-24-17-11-4-5-12-18(17)25-19/h1-5,8-9,11-12,14-15H,6-7,10,13H2,(H,23,27).
What are the key properties of 2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide?
2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-phenylbutyl)-5-quinoxalin-2-yl-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162644609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).