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

C14H16FNO2 — CID 58169606

IUPAC4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCCC2COCC(c3ccc(F)cc3)N12
InChIInChI=1S/C14H16FNO2/c15-11-6-4-10(5-7-11)13-9-18-8-12-2-1-3-14(17)16(12)13/h4-7,12-13H,1-3,8-9H2
InChIKeyTXQVKUIONDHASV-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.28
Rot. Bonds1

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

4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one (PubChem CID 58169606) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
PubChem CID58169606
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
SMILESO=C1CCCC2COCC(c3ccc(F)cc3)N12
InChIInChI=1S/C14H16FNO2/c15-11-6-4-10(5-7-11)13-9-18-8-12-2-1-3-14(17)16(12)13/h4-7,12-13H,1-3,8-9H2
InChIKeyTXQVKUIONDHASV-UHFFFAOYSA-N
XLogP2.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-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

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(4R,9aR)-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one
CID 10466440
(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-methylpiperidin-2-one
CID 10889819
2,2,2-trifluoro-1-[(1R)-1-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 22885554
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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
1(R,S)-Methoxymethyl-2-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline
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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The IUPAC name of 4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one (CID 58169606) is 4-(4-fluorophenyl)-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)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one is O=C1CCCC2COCC(c3ccc(F)cc3)N12.
What is the InChIKey of 4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
The InChIKey is TXQVKUIONDHASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-11-6-4-10(5-7-11)13-9-18-8-12-2-1-3-14(17)16(12)13/h4-7,12-13H,1-3,8-9H2.
What are the key properties of 4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one?
4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one has a molecular weight of 249.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 58169606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).