N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H20F3N3O2 — CID 71986627

IUPACN-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(Cc2ccno2)C1
InChIInChI=1S/C14H20F3N3O2/c1-2-20(10-14(15,16)17)13(21)11-4-3-7-19(8-11)9-12-5-6-18-22-12/h5-6,11H,2-4,7-10H2,1H3
InChIKeyBNYTVDJLCKXUBR-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.30
Rot. Bonds5

About N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71986627) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71986627
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC NameN-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(Cc2ccno2)C1
InChIInChI=1S/C14H20F3N3O2/c1-2-20(10-14(15,16)17)13(21)11-4-3-7-19(8-11)9-12-5-6-18-22-12/h5-6,11H,2-4,7-10H2,1H3
InChIKeyBNYTVDJLCKXUBR-UHFFFAOYSA-N
XLogP2.30
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124516725
methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate
CID 79046872
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
CID 136512107
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111596383
1-(2-chlorofuran-3-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136536554
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133483608
(3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
CID 96567281

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71986627) is N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(Cc2ccno2)C1.
What is the InChIKey of N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is BNYTVDJLCKXUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-2-20(10-14(15,16)17)13(21)11-4-3-7-19(8-11)9-12-5-6-18-22-12/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71986627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).