3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one

C15H19FN2O2 — CID 83126546

IUPAC3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESO=C(CCN1CCOC2CCCC21)c1ccc(F)cn1
InChIInChI=1S/C15H19FN2O2/c16-11-4-5-12(17-10-11)14(19)6-7-18-8-9-20-15-3-1-2-13(15)18/h4-5,10,13,15H,1-3,6-9H2
InChIKeyOQSYFANKUNKUIG-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.05
Rot. Bonds4

About 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one (PubChem CID 83126546) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
PubChem CID83126546
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESO=C(CCN1CCOC2CCCC21)c1ccc(F)cn1
InChIInChI=1S/C15H19FN2O2/c16-11-4-5-12(17-10-11)14(19)6-7-18-8-9-20-15-3-1-2-13(15)18/h4-5,10,13,15H,1-3,6-9H2
InChIKeyOQSYFANKUNKUIG-UHFFFAOYSA-N
XLogP2.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83110513
1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 83125914
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(2-bromophenyl)propan-1-one
CID 62629530
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125772
1-(5-fluoro-2-pyridinyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102886440
3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-fluorophenyl)propanamide
CID 100905129
ethyl 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propanoate
CID 61370843
4-(6-chlorohexyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 62227452
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834
1-(4-fluorophenyl)-3-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]propan-1-one
CID 124776743
3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126842
3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(2,6-dichlorophenyl)propanamide
CID 96549635

Frequently Asked Questions

What is the IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one (CID 83126546) is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The canonical SMILES for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one is O=C(CCN1CCOC2CCCC21)c1ccc(F)cn1.
What is the InChIKey of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
The InChIKey is OQSYFANKUNKUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-11-4-5-12(17-10-11)14(19)6-7-18-8-9-20-15-3-1-2-13(15)18/h4-5,10,13,15H,1-3,6-9H2.
What are the key properties of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one?
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one has a molecular weight of 278.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 83126546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).