2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

C12H19FN2O — CID 129488031

IUPAC2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCC[C@](C)(F)C2)oc1C
InChIInChI=1S/C12H19FN2O/c1-9-10(2)16-11(14-9)7-15-6-4-5-12(3,13)8-15/h4-8H2,1-3H3/t12-/m0/s1
InChIKeyIWJUGIHMVDXTDD-LBPRGKRZSA-N
MW226.29 g/mol
LogP2.62
Rot. Bonds2

About 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 129488031) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID129488031
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCC[C@](C)(F)C2)oc1C
InChIInChI=1S/C12H19FN2O/c1-9-10(2)16-11(14-9)7-15-6-4-5-12(3,13)8-15/h4-8H2,1-3H3/t12-/m0/s1
InChIKeyIWJUGIHMVDXTDD-LBPRGKRZSA-N
XLogP2.62
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 129488031) is 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(CN2CCC[C@](C)(F)C2)oc1C.
What is the InChIKey of 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is IWJUGIHMVDXTDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9-10(2)16-11(14-9)7-15-6-4-5-12(3,13)8-15/h4-8H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 226.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 129488031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).