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

C12H19FN2O — CID 126790332

IUPAC2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(C(C)N2CCCC(C)(F)C2)o1
InChIInChI=1S/C12H19FN2O/c1-9-7-14-11(16-9)10(2)15-6-4-5-12(3,13)8-15/h7,10H,4-6,8H2,1-3H3
InChIKeyIZUBONNENREMDT-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.87
Rot. Bonds2

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

2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole (PubChem CID 126790332) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole
PubChem CID126790332
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(C(C)N2CCCC(C)(F)C2)o1
InChIInChI=1S/C12H19FN2O/c1-9-7-14-11(16-9)10(2)15-6-4-5-12(3,13)8-15/h7,10H,4-6,8H2,1-3H3
InChIKeyIZUBONNENREMDT-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole (CID 126790332) is 2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole is Cc1cnc(C(C)N2CCCC(C)(F)C2)o1.
What is the InChIKey of 2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole?
The InChIKey is IZUBONNENREMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9-7-14-11(16-9)10(2)15-6-4-5-12(3,13)8-15/h7,10H,4-6,8H2,1-3H3.
What are the key properties of 2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole?
2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole has a molecular weight of 226.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-3-methylpiperidin-1-yl)ethyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 126790332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).