4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole

C18H23FN2O — CID 56870990

IUPAC4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCC(CCc3ccc(F)cc3)C2)co1
InChIInChI=1S/C18H23FN2O/c1-14-20-18(13-22-14)12-21-10-2-3-16(11-21)5-4-15-6-8-17(19)9-7-15/h6-9,13,16H,2-5,10-12H2,1H3
InChIKeyGLVFHOQGWVEJBU-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.97
Rot. Bonds5

About 4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole

4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 56870990) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID56870990
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCC(CCc3ccc(F)cc3)C2)co1
InChIInChI=1S/C18H23FN2O/c1-14-20-18(13-22-14)12-21-10-2-3-16(11-21)5-4-15-6-8-17(19)9-7-15/h6-9,13,16H,2-5,10-12H2,1H3
InChIKeyGLVFHOQGWVEJBU-UHFFFAOYSA-N
XLogP3.97
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 56870990) is 4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCCC(CCc3ccc(F)cc3)C2)co1.
What is the InChIKey of 4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is GLVFHOQGWVEJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-14-20-18(13-22-14)12-21-10-2-3-16(11-21)5-4-15-6-8-17(19)9-7-15/h6-9,13,16H,2-5,10-12H2,1H3.
What are the key properties of 4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 302.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 56870990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).