N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H20F3N3O2 — CID 154739091

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)C2CCCN(CC(F)(F)F)C2)o1
InChIInChI=1S/C14H20F3N3O2/c1-9-12(22-10(2)19-9)6-18-13(21)11-4-3-5-20(7-11)8-14(15,16)17/h11H,3-8H2,1-2H3,(H,18,21)
InChIKeyGDNJQHDLIQCZRW-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.18
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 154739091) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID154739091
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)C2CCCN(CC(F)(F)F)C2)o1
InChIInChI=1S/C14H20F3N3O2/c1-9-12(22-10(2)19-9)6-18-13(21)11-4-3-5-20(7-11)8-14(15,16)17/h11H,3-8H2,1-2H3,(H,18,21)
InChIKeyGDNJQHDLIQCZRW-UHFFFAOYSA-N
XLogP2.18
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 154739091) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1nc(C)c(CNC(=O)C2CCCN(CC(F)(F)F)C2)o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is GDNJQHDLIQCZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-9-12(22-10(2)19-9)6-18-13(21)11-4-3-5-20(7-11)8-14(15,16)17/h11H,3-8H2,1-2H3,(H,18,21).
What are the key properties of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 154739091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).