5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole

C10H15FN2O — CID 144507450

IUPAC5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole
SMILESCC1CCN(Cc2cnco2)C[C@H]1F
InChIInChI=1S/C10H15FN2O/c1-8-2-3-13(6-10(8)11)5-9-4-12-7-14-9/h4,7-8,10H,2-3,5-6H2,1H3/t8?,10-/m1/s1
InChIKeyXIHFDKHJYVASLK-LHIURRSHSA-N
MW198.24 g/mol
LogP1.85
Rot. Bonds2

About 5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole

5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 144507450) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole
PubChem CID144507450
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole
SMILESCC1CCN(Cc2cnco2)C[C@H]1F
InChIInChI=1S/C10H15FN2O/c1-8-2-3-13(6-10(8)11)5-9-4-12-7-14-9/h4,7-8,10H,2-3,5-6H2,1H3/t8?,10-/m1/s1
InChIKeyXIHFDKHJYVASLK-LHIURRSHSA-N
XLogP1.85
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole (CID 144507450) is 5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole is CC1CCN(Cc2cnco2)C[C@H]1F.
What is the InChIKey of 5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is XIHFDKHJYVASLK-LHIURRSHSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-8-2-3-13(6-10(8)11)5-9-4-12-7-14-9/h4,7-8,10H,2-3,5-6H2,1H3/t8?,10-/m1/s1.
What are the key properties of 5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole?
5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 198.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-fluoro-4-methylpiperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 144507450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).