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

C11H17FN2O — CID 154760034

IUPAC4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1oncc1CN1CCCC(C)(F)C1
InChIInChI=1S/C11H17FN2O/c1-9-10(6-13-15-9)7-14-5-3-4-11(2,12)8-14/h6H,3-5,7-8H2,1-2H3
InChIKeyPYSWYYDSXVUJFG-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.31
Rot. Bonds2

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

4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 154760034) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID154760034
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1oncc1CN1CCCC(C)(F)C1
InChIInChI=1S/C11H17FN2O/c1-9-10(6-13-15-9)7-14-5-3-4-11(2,12)8-14/h6H,3-5,7-8H2,1-2H3
InChIKeyPYSWYYDSXVUJFG-UHFFFAOYSA-N
XLogP2.31
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole (CID 154760034) is 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole is Cc1oncc1CN1CCCC(C)(F)C1.
What is the InChIKey of 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is PYSWYYDSXVUJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-9-10(6-13-15-9)7-14-5-3-4-11(2,12)8-14/h6H,3-5,7-8H2,1-2H3.
What are the key properties of 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole?
4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 212.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 154760034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).