N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide

C22H27F3N4O3 — CID 42834825

IUPACN-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1coc(CN(CCN2CCOCC2)Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C22H27F3N4O3/c23-22(24,25)18-4-2-1-3-16(18)13-29(8-7-28-9-11-31-12-10-28)14-20-27-19(15-32-20)21(30)26-17-5-6-17/h1-4,15,17H,5-14H2,(H,26,30)
InChIKeyPUWWGCOBQSUENT-UHFFFAOYSA-N
MW452.48 g/mol
LogP2.92
Rot. Bonds9

About N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide

N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42834825) has the molecular formula C22H27F3N4O3 and a molecular weight of 452.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42834825
Molecular FormulaC22H27F3N4O3
Molecular Weight452.48 g/mol
Exact Mass452.20
IUPAC NameN-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CC1)c1coc(CN(CCN2CCOCC2)Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C22H27F3N4O3/c23-22(24,25)18-4-2-1-3-16(18)13-29(8-7-28-9-11-31-12-10-28)14-20-27-19(15-32-20)21(30)26-17-5-6-17/h1-4,15,17H,5-14H2,(H,26,30)
InChIKeyPUWWGCOBQSUENT-UHFFFAOYSA-N
XLogP2.92
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834807
2-[[(2-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42833757
2-[[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 42833789
N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834782
1-[4-[2-[[(2-chlorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42833486
2-[[benzyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46002434
2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42833797
2-[[(2,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 42833773
2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 42833458
2-[[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42830802
N-[(4-fluorophenyl)methyl]-2-[[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833466
N-(2-methoxyethyl)-2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834784

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 42834825) is N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide is O=C(NC1CC1)c1coc(CN(CCN2CCOCC2)Cc2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PUWWGCOBQSUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O3/c23-22(24,25)18-4-2-1-3-16(18)13-29(8-7-28-9-11-31-12-10-28)14-20-27-19(15-32-20)21(30)26-17-5-6-17/h1-4,15,17H,5-14H2,(H,26,30).
What are the key properties of N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42834825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).