N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

C14H20F3N3O2 — CID 131933273

IUPACN-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(CCCC(F)(F)F)CC1)c1ccon1
InChIInChI=1S/C14H20F3N3O2/c15-14(16,17)5-1-6-20-7-2-11(3-8-20)10-18-13(21)12-4-9-22-19-12/h4,9,11H,1-3,5-8,10H2,(H,18,21)
InChIKeyVQJFVAFQXVLQAR-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.46
Rot. Bonds6

About N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 131933273) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID131933273
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC NameN-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(CCCC(F)(F)F)CC1)c1ccon1
InChIInChI=1S/C14H20F3N3O2/c15-14(16,17)5-1-6-20-7-2-11(3-8-20)10-18-13(21)12-4-9-22-19-12/h4,9,11H,1-3,5-8,10H2,(H,18,21)
InChIKeyVQJFVAFQXVLQAR-UHFFFAOYSA-N
XLogP2.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 131933273) is N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CCN(CCCC(F)(F)F)CC1)c1ccon1.
What is the InChIKey of N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VQJFVAFQXVLQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c15-14(16,17)5-1-6-20-7-2-11(3-8-20)10-18-13(21)12-4-9-22-19-12/h4,9,11H,1-3,5-8,10H2,(H,18,21).
What are the key properties of N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131933273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).