4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one

C14H16FNO3 — CID 58169612

IUPAC4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCCC2C(O)OCC(c3ccc(F)cc3)N12
InChIInChI=1S/C14H16FNO3/c15-10-6-4-9(5-7-10)12-8-19-14(18)11-2-1-3-13(17)16(11)12/h4-7,11-12,14,18H,1-3,8H2
InChIKeyLQMCHRLIMGSKRC-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.60
Rot. Bonds1

About 4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one

4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one (PubChem CID 58169612) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
PubChem CID58169612
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCCC2C(O)OCC(c3ccc(F)cc3)N12
InChIInChI=1S/C14H16FNO3/c15-10-6-4-9(5-7-10)12-8-19-14(18)11-2-1-3-13(17)16(11)12/h4-7,11-12,14,18H,1-3,8H2
InChIKeyLQMCHRLIMGSKRC-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one with MolForge

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Related Compounds

(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-methylpiperidin-2-one
CID 10889819
(4S,9aR)-4-(3,4,5-trifluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
CID 42636953
(4R,9aS)-4-(3,4,5-Trifluorophenyl)hexahydropyrido[2,1-c][1,4]oxazin-6(1H)-one
CID 44124045
4-(3,4,5-trifluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
CID 44124153
6-(4-Fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 58122462
4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
CID 58169606
(R)-6-(4-Fluoro-phenyl)-1-((S)-2-hydroxy-1-phenyl-ethyl)-piperidin-2-one
CID 66849884
6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one
CID 66849885
1-[(3S,5R)-3-(hydroxymethyl)-5-(3,4,5-trifluorophenyl)morpholin-4-yl]but-3-en-1-one
CID 67462704
(4R,9aS)-4-(3,4-difluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
CID 67464190
Ethyl 1-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-6-oxopiperidine-2-carboxylate
CID 67464952
ethyl (R*)-1-[(R*)-1-(4-fluorophenyl)-2-hydroxyethyl]-6-oxopiperidine-2-carboxylate
CID 67464974

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The IUPAC name of 4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one (CID 58169612) is 4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one is O=C1CCCC2C(O)OCC(c3ccc(F)cc3)N12.
What is the InChIKey of 4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The InChIKey is LQMCHRLIMGSKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-10-6-4-9(5-7-10)12-8-19-14(18)11-2-1-3-13(17)16(11)12/h4-7,11-12,14,18H,1-3,8H2.
What are the key properties of 4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one has a molecular weight of 265.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-hydroxy-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 58169612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).