3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one

C14H17FN2O2 — CID 176647568

IUPAC3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one
SMILESCC(C)c1cnc(N2CC3CCC(O3)C2=O)cc1F
InChIInChI=1S/C14H17FN2O2/c1-8(2)10-6-16-13(5-11(10)15)17-7-9-3-4-12(19-9)14(17)18/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyZRGAKMJEINZJES-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.24
Rot. Bonds2

About 3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one

3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one (PubChem CID 176647568) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one
PubChem CID176647568
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one
SMILESCC(C)c1cnc(N2CC3CCC(O3)C2=O)cc1F
InChIInChI=1S/C14H17FN2O2/c1-8(2)10-6-16-13(5-11(10)15)17-7-9-3-4-12(19-9)14(17)18/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyZRGAKMJEINZJES-UHFFFAOYSA-N
XLogP2.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of 3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one (CID 176647568) is 3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one is CC(C)c1cnc(N2CC3CCC(O3)C2=O)cc1F.
What is the InChIKey of 3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one?
The InChIKey is ZRGAKMJEINZJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8(2)10-6-16-13(5-11(10)15)17-7-9-3-4-12(19-9)14(17)18/h5-6,8-9,12H,3-4,7H2,1-2H3.
What are the key properties of 3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one?
3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one has a molecular weight of 264.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-5-propan-2-yl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 176647568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).