[(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone

C15H19FN4O3 — CID 155558370

IUPAC[(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1C[C@H]2CN(c3ncc(F)cn3)C[C@@H]1O2)N1CCOCC1
InChIInChI=1S/C15H19FN4O3/c16-10-6-17-15(18-7-10)20-8-11-5-12(13(9-20)23-11)14(21)19-1-3-22-4-2-19/h6-7,11-13H,1-5,8-9H2/t11-,12-,13-/m0/s1
InChIKeyBGUAEIYRQGLIIQ-AVGNSLFASA-N
MW322.34 g/mol
LogP0.07
Rot. Bonds2

About [(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone

[(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone (PubChem CID 155558370) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is [(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
PubChem CID155558370
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC Name[(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1C[C@H]2CN(c3ncc(F)cn3)C[C@@H]1O2)N1CCOCC1
InChIInChI=1S/C15H19FN4O3/c16-10-6-17-15(18-7-10)20-8-11-5-12(13(9-20)23-11)14(21)19-1-3-22-4-2-19/h6-7,11-13H,1-5,8-9H2/t11-,12-,13-/m0/s1
InChIKeyBGUAEIYRQGLIIQ-AVGNSLFASA-N
XLogP0.07
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone (CID 155558370) is [(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone is O=C([C@H]1C[C@H]2CN(c3ncc(F)cn3)C[C@@H]1O2)N1CCOCC1.
What is the InChIKey of [(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
The InChIKey is BGUAEIYRQGLIIQ-AVGNSLFASA-N. The full InChI is InChI=1S/C15H19FN4O3/c16-10-6-17-15(18-7-10)20-8-11-5-12(13(9-20)23-11)14(21)19-1-3-22-4-2-19/h6-7,11-13H,1-5,8-9H2/t11-,12-,13-/m0/s1.
What are the key properties of [(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone?
[(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone has a molecular weight of 322.34 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R,6S)-3-(5-fluoropyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155558370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).