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

C18H21F3N4O2 — CID 46055699

IUPACN-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H21F3N4O2/c1-2-22-17(26)15-12-27-16(23-15)11-24-6-8-25(9-7-24)14-5-3-4-13(10-14)18(19,20)21/h3-5,10,12H,2,6-9,11H2,1H3,(H,22,26)
InChIKeyVSYAGSYAGOWHJS-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.77
Rot. Bonds5

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

N-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 46055699) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID46055699
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC NameN-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H21F3N4O2/c1-2-22-17(26)15-12-27-16(23-15)11-24-6-8-25(9-7-24)14-5-3-4-13(10-14)18(19,20)21/h3-5,10,12H,2,6-9,11H2,1H3,(H,22,26)
InChIKeyVSYAGSYAGOWHJS-UHFFFAOYSA-N
XLogP2.77
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 46055699) is N-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is CCNC(=O)c1coc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of N-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VSYAGSYAGOWHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-2-22-17(26)15-12-27-16(23-15)11-24-6-8-25(9-7-24)14-5-3-4-13(10-14)18(19,20)21/h3-5,10,12H,2,6-9,11H2,1H3,(H,22,26).
What are the key properties of N-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46055699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).