2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide

C16H19FN2O3 — CID 806184

IUPAC2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(C[C@@H]1OC[C@H]2CCCCN2C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3/c17-11-4-6-12(7-5-11)18-15(20)9-14-16(21)19-8-2-1-3-13(19)10-22-14/h4-7,13-14H,1-3,8-10H2,(H,18,20)/t13-,14+/m1/s1
InChIKeyZWYOBFWPEJSOSH-KGLIPLIRSA-N
MW306.34 g/mol
LogP1.93
Rot. Bonds3

About 2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide

2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 806184) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide
PubChem CID806184
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(C[C@@H]1OC[C@H]2CCCCN2C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3/c17-11-4-6-12(7-5-11)18-15(20)9-14-16(21)19-8-2-1-3-13(19)10-22-14/h4-7,13-14H,1-3,8-10H2,(H,18,20)/t13-,14+/m1/s1
InChIKeyZWYOBFWPEJSOSH-KGLIPLIRSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide with MolForge

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Related Compounds

2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 750039
2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
CID 941057
2-[(2R,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
CID 6546718
2-(3-cyclopentyl-2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 17118476
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043
N-(4-fluorophenyl)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065315
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
N-(4-fluorophenyl)-2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetamide
CID 22678747
2-[(2S,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-1-ium-2-yl]-N-(4-fluorophenyl)acetamide
CID 11860816
2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 2984696
2-[(6aS)-6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-fluorophenyl)acetamide
CID 93059846
2-[(2S,4aS,8aR)-3-oxo-1-propanoyl-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
CID 11898654

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide (CID 806184) is 2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide is O=C(C[C@@H]1OC[C@H]2CCCCN2C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is ZWYOBFWPEJSOSH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H19FN2O3/c17-11-4-6-12(7-5-11)18-15(20)9-14-16(21)19-8-2-1-3-13(19)10-22-14/h4-7,13-14H,1-3,8-10H2,(H,18,20)/t13-,14+/m1/s1.
What are the key properties of 2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide?
2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 306.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 806184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).