[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone

C10H13FN2O3 — CID 129260772

IUPAC[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCO[C@H]1CCN(C(=O)c2cnco2)C[C@H]1F
InChIInChI=1S/C10H13FN2O3/c1-15-8-2-3-13(5-7(8)11)10(14)9-4-12-6-16-9/h4,6-8H,2-3,5H2,1H3/t7-,8+/m1/s1
InChIKeyBSPVZAAEJBPKEY-SFYZADRCSA-N
MW228.22 g/mol
LogP0.87
Rot. Bonds2

About [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone

[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 129260772) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID129260772
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCO[C@H]1CCN(C(=O)c2cnco2)C[C@H]1F
InChIInChI=1S/C10H13FN2O3/c1-15-8-2-3-13(5-7(8)11)10(14)9-4-12-6-16-9/h4,6-8H,2-3,5H2,1H3/t7-,8+/m1/s1
InChIKeyBSPVZAAEJBPKEY-SFYZADRCSA-N
XLogP0.87
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 129260772) is [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone is CO[C@H]1CCN(C(=O)c2cnco2)C[C@H]1F.
What is the InChIKey of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is BSPVZAAEJBPKEY-SFYZADRCSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-15-8-2-3-13(5-7(8)11)10(14)9-4-12-6-16-9/h4,6-8H,2-3,5H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 228.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 129260772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).