4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole

C18H22F2N2O — CID 56868733

IUPAC4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCC(CCc3c(F)cccc3F)C2)co1
InChIInChI=1S/C18H22F2N2O/c1-13-21-15(12-23-13)11-22-9-3-4-14(10-22)7-8-16-17(19)5-2-6-18(16)20/h2,5-6,12,14H,3-4,7-11H2,1H3
InChIKeyRLBJXRUTMMTDSJ-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.11
Rot. Bonds5

About 4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole

4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 56868733) has the molecular formula C18H22F2N2O and a molecular weight of 320.38 g/mol. Its IUPAC name is 4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID56868733
Molecular FormulaC18H22F2N2O
Molecular Weight320.38 g/mol
Exact Mass320.17
IUPAC Name4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCC(CCc3c(F)cccc3F)C2)co1
InChIInChI=1S/C18H22F2N2O/c1-13-21-15(12-23-13)11-22-9-3-4-14(10-22)7-8-16-17(19)5-2-6-18(16)20/h2,5-6,12,14H,3-4,7-11H2,1H3
InChIKeyRLBJXRUTMMTDSJ-UHFFFAOYSA-N
XLogP4.11
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 56868733) is 4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCCC(CCc3c(F)cccc3F)C2)co1.
What is the InChIKey of 4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is RLBJXRUTMMTDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O/c1-13-21-15(12-23-13)11-22-9-3-4-14(10-22)7-8-16-17(19)5-2-6-18(16)20/h2,5-6,12,14H,3-4,7-11H2,1H3.
What are the key properties of 4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 320.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 56868733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).