3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide

C21H20F3N3O5 — CID 68984760

IUPAC3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide
SMILESCCOc1cccnc1C(=O)NCc1coc(-c2ccc(OC)c(OCC(F)(F)F)c2)n1
InChIInChI=1S/C21H20F3N3O5/c1-3-30-16-5-4-8-25-18(16)19(28)26-10-14-11-31-20(27-14)13-6-7-15(29-2)17(9-13)32-12-21(22,23)24/h4-9,11H,3,10,12H2,1-2H3,(H,26,28)
InChIKeyVMHLREUEWDICJT-UHFFFAOYSA-N
MW451.40 g/mol
LogP4.01
Rot. Bonds9

About 3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide

3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 68984760) has the molecular formula C21H20F3N3O5 and a molecular weight of 451.40 g/mol. Its IUPAC name is 3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide
PubChem CID68984760
Molecular FormulaC21H20F3N3O5
Molecular Weight451.40 g/mol
Exact Mass451.14
IUPAC Name3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide
SMILESCCOc1cccnc1C(=O)NCc1coc(-c2ccc(OC)c(OCC(F)(F)F)c2)n1
InChIInChI=1S/C21H20F3N3O5/c1-3-30-16-5-4-8-25-18(16)19(28)26-10-14-11-31-20(27-14)13-6-7-15(29-2)17(9-13)32-12-21(22,23)24/h4-9,11H,3,10,12H2,1-2H3,(H,26,28)
InChIKeyVMHLREUEWDICJT-UHFFFAOYSA-N
XLogP4.01
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide
CID 141337828
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
CID 68983390
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-6-hydroxybenzamide
CID 130176541
N-[[2-(3,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxy-N-methylbenzamide
CID 68983058
3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-oxazol-4-yl]-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-one
CID 162553534
N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
CID 68982000
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide
CID 130176543
4-[2-(3,4-diethoxyphenyl)-1,3-oxazol-4-yl]butan-2-one
CID 143462575
1-ethyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111553744
5-[(1S)-1-aminoethyl]-N-[(2,6-difluorophenyl)methyl]-2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118471526
1-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111590235
1-(2-ethoxy-4-fluorophenyl)-1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-oxazol-4-yl]propan-2-one
CID 69124059

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide (CID 68984760) is 3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide is CCOc1cccnc1C(=O)NCc1coc(-c2ccc(OC)c(OCC(F)(F)F)c2)n1.
What is the InChIKey of 3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is VMHLREUEWDICJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O5/c1-3-30-16-5-4-8-25-18(16)19(28)26-10-14-11-31-20(27-14)13-6-7-15(29-2)17(9-13)32-12-21(22,23)24/h4-9,11H,3,10,12H2,1-2H3,(H,26,28).
What are the key properties of 3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide?
3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 451.40 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 68984760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).