N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide

C22H20F3N3O5 — CID 11554446

IUPACN-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1coc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C22H20F3N3O5/c1-14-4-2-3-5-15(14)10-27-21(30)18-12-32-20(28-18)11-26-19(29)13-31-16-6-8-17(9-7-16)33-22(23,24)25/h2-9,12H,10-11,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyKGWWUCJFYUGVBW-UHFFFAOYSA-N
MW463.41 g/mol
LogP3.51
Rot. Bonds9

About N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide

N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 11554446) has the molecular formula C22H20F3N3O5 and a molecular weight of 463.41 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID11554446
Molecular FormulaC22H20F3N3O5
Molecular Weight463.41 g/mol
Exact Mass463.14
IUPAC NameN-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1coc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C22H20F3N3O5/c1-14-4-2-3-5-15(14)10-27-21(30)18-12-32-20(28-18)11-26-19(29)13-31-16-6-8-17(9-7-16)33-22(23,24)25/h2-9,12H,10-11,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyKGWWUCJFYUGVBW-UHFFFAOYSA-N
XLogP3.51
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 87873252
N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 11562323
N-[[4-(4-hexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 154332595
5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 173062314
N'-[2-(4-methoxyphenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163562
N-[(2,4-difluorophenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 69026353
N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604971
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555
N-[(3-methyl-4-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42198397
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110660403
N-benzyl-2-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835074
N-[(3,5-difluorophenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 143120876

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 11554446) is N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide is Cc1ccccc1CNC(=O)c1coc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KGWWUCJFYUGVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O5/c1-14-4-2-3-5-15(14)10-27-21(30)18-12-32-20(28-18)11-26-19(29)13-31-16-6-8-17(9-7-16)33-22(23,24)25/h2-9,12H,10-11,13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 463.41 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11554446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).