5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole

C13H21FN2O — CID 58394835

IUPAC5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole
SMILESCC(C)(C)C1CCN(Cc2cnco2)CC1F
InChIInChI=1S/C13H21FN2O/c1-13(2,3)11-4-5-16(8-12(11)14)7-10-6-15-9-17-10/h6,9,11-12H,4-5,7-8H2,1-3H3
InChIKeyIXIDOKJEHBRCFY-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.88
Rot. Bonds2

About 5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole

5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole (PubChem CID 58394835) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole
PubChem CID58394835
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole
SMILESCC(C)(C)C1CCN(Cc2cnco2)CC1F
InChIInChI=1S/C13H21FN2O/c1-13(2,3)11-4-5-16(8-12(11)14)7-10-6-15-9-17-10/h6,9,11-12H,4-5,7-8H2,1-3H3
InChIKeyIXIDOKJEHBRCFY-UHFFFAOYSA-N
XLogP2.88
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole (CID 58394835) is 5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole is CC(C)(C)C1CCN(Cc2cnco2)CC1F.
What is the InChIKey of 5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is IXIDOKJEHBRCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-13(2,3)11-4-5-16(8-12(11)14)7-10-6-15-9-17-10/h6,9,11-12H,4-5,7-8H2,1-3H3.
What are the key properties of 5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole?
5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 240.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-3-fluoropiperidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 58394835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).