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

C17H18F3N3O2 — CID 3421131

IUPAC2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1coc(C2CCNCC2)n1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)13-4-2-1-3-12(13)9-22-15(24)14-10-25-16(23-14)11-5-7-21-8-6-11/h1-4,10-11,21H,5-9H2,(H,22,24)
InChIKeyOOMCVYLFYUUAFQ-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.09
Rot. Bonds4

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

2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3421131) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID3421131
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1coc(C2CCNCC2)n1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)13-4-2-1-3-12(13)9-22-15(24)14-10-25-16(23-14)11-5-7-21-8-6-11/h1-4,10-11,21H,5-9H2,(H,22,24)
InChIKeyOOMCVYLFYUUAFQ-UHFFFAOYSA-N
XLogP3.09
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785757
N-[(2,5-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3421206
2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3841739
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3851641
2-(1-amino-2-methylbutyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3271164
2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3483922
N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3868751
2-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 5176278
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3770409

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 3421131) is 2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1coc(C2CCNCC2)n1.
What is the InChIKey of 2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OOMCVYLFYUUAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)13-4-2-1-3-12(13)9-22-15(24)14-10-25-16(23-14)11-5-7-21-8-6-11/h1-4,10-11,21H,5-9H2,(H,22,24).
What are the key properties of 2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3421131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).