2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide

C23H21N3O3 — CID 126458716

IUPAC2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21)c1ccccc1
InChIInChI=1S/C23H21N3O3/c1-16(17-9-4-2-5-10-17)25-20(27)15-26-22-19(13-8-14-24-22)29-21(23(26)28)18-11-6-3-7-12-18/h2-14,16,21H,15H2,1H3,(H,25,27)
InChIKeyJUWAXYIUYUYWNV-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.43
Rot. Bonds5

About 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide

2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide (PubChem CID 126458716) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide
PubChem CID126458716
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21)c1ccccc1
InChIInChI=1S/C23H21N3O3/c1-16(17-9-4-2-5-10-17)25-20(27)15-26-22-19(13-8-14-24-22)29-21(23(26)28)18-11-6-3-7-12-18/h2-14,16,21H,15H2,1H3,(H,25,27)
InChIKeyJUWAXYIUYUYWNV-UHFFFAOYSA-N
XLogP3.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide (CID 126458716) is 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1C(=O)C(c2ccccc2)Oc2cccnc21)c1ccccc1.
What is the InChIKey of 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is JUWAXYIUYUYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16(17-9-4-2-5-10-17)25-20(27)15-26-22-19(13-8-14-24-22)29-21(23(26)28)18-11-6-3-7-12-18/h2-14,16,21H,15H2,1H3,(H,25,27).
What are the key properties of 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide?
2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 126458716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).