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

C16H24F3N3O2 — CID 71988839

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(Cc2nc(C)c(C)o2)C1
InChIInChI=1S/C16H24F3N3O2/c1-4-22(10-16(17,18)19)15(23)13-6-5-7-21(8-13)9-14-20-11(2)12(3)24-14/h13H,4-10H2,1-3H3
InChIKeyRJSJJAQAQPNJAD-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.91
Rot. Bonds5

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71988839) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71988839
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(Cc2nc(C)c(C)o2)C1
InChIInChI=1S/C16H24F3N3O2/c1-4-22(10-16(17,18)19)15(23)13-6-5-7-21(8-13)9-14-20-11(2)12(3)24-14/h13H,4-10H2,1-3H3
InChIKeyRJSJJAQAQPNJAD-UHFFFAOYSA-N
XLogP2.91
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71988839) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(Cc2nc(C)c(C)o2)C1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is RJSJJAQAQPNJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-4-22(10-16(17,18)19)15(23)13-6-5-7-21(8-13)9-14-20-11(2)12(3)24-14/h13H,4-10H2,1-3H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71988839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).