4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide

C23H23F3N2O4 — CID 30102866

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1
InChIInChI=1S/C23H23F3N2O4/c1-15-21(16(2)32-28-15)13-31-20-9-7-19(8-10-20)22(29)27-11-17-3-5-18(6-4-17)12-30-14-23(24,25)26/h3-10H,11-14H2,1-2H3,(H,27,29)
InChIKeyFSJPODZLJXXKSD-UHFFFAOYSA-N
MW448.44 g/mol
LogP4.88
Rot. Bonds9

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide (PubChem CID 30102866) has the molecular formula C23H23F3N2O4 and a molecular weight of 448.44 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
PubChem CID30102866
Molecular FormulaC23H23F3N2O4
Molecular Weight448.44 g/mol
Exact Mass448.16
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1
InChIInChI=1S/C23H23F3N2O4/c1-15-21(16(2)32-28-15)13-31-20-9-7-19(8-10-20)22(29)27-11-17-3-5-18(6-4-17)12-30-14-23(24,25)26/h3-10H,11-14H2,1-2H3,(H,27,29)
InChIKeyFSJPODZLJXXKSD-UHFFFAOYSA-N
XLogP4.88
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336
4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 30822172
N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78781700
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 7971440
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 30125187
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709579
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29332836
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55587041
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111448110

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide (CID 30102866) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide is Cc1noc(C)c1COc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
The InChIKey is FSJPODZLJXXKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O4/c1-15-21(16(2)32-28-15)13-31-20-9-7-19(8-10-20)22(29)27-11-17-3-5-18(6-4-17)12-30-14-23(24,25)26/h3-10H,11-14H2,1-2H3,(H,27,29).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide has a molecular weight of 448.44 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 30102866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).