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

C20H25F3N4O2 — CID 46051708

IUPACN-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1coc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C20H25F3N4O2/c1-2-7-24-19(28)17-14-29-18(25-17)13-27-10-8-26(9-11-27)12-15-5-3-4-6-16(15)20(21,22)23/h3-6,14H,2,7-13H2,1H3,(H,24,28)
InChIKeyRUXKPCGLHAVEJF-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.15
Rot. Bonds7

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

N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 46051708) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID46051708
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC NameN-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1coc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C20H25F3N4O2/c1-2-7-24-19(28)17-14-29-18(25-17)13-27-10-8-26(9-11-27)12-15-5-3-4-6-16(15)20(21,22)23/h3-6,14H,2,7-13H2,1H3,(H,24,28)
InChIKeyRUXKPCGLHAVEJF-UHFFFAOYSA-N
XLogP3.15
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 92986274
N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051560
2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 92986286
2-[(4-benzylpiperazin-1-yl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-oxazole-4-carboxamide
CID 30675465
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 25281930
2-[[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 92986413
2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxylic acid
CID 115084002
2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 29088068
N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051687
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210
2-[[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 46051837
2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 46051831

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 46051708) is N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is CCCNC(=O)c1coc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)n1.
What is the InChIKey of N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RUXKPCGLHAVEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-2-7-24-19(28)17-14-29-18(25-17)13-27-10-8-26(9-11-27)12-15-5-3-4-6-16(15)20(21,22)23/h3-6,14H,2,7-13H2,1H3,(H,24,28).
What are the key properties of N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46051708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).