N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide

C22H19F6N3O3 — CID 71663306

IUPACN-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(C)N(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F6N3O3/c1-13(2)31(19(32)12-33-17-9-7-16(8-10-17)22(26,27)28)11-18-29-20(30-34-18)14-3-5-15(6-4-14)21(23,24)25/h3-10,13H,11-12H2,1-2H3
InChIKeyVIJIMOAFPJAZHC-UHFFFAOYSA-N
MW487.40 g/mol
LogP5.59
Rot. Bonds7

About N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide

N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 71663306) has the molecular formula C22H19F6N3O3 and a molecular weight of 487.40 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID71663306
Molecular FormulaC22H19F6N3O3
Molecular Weight487.40 g/mol
Exact Mass487.13
IUPAC NameN-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCC(C)N(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F6N3O3/c1-13(2)31(19(32)12-33-17-9-7-16(8-10-17)22(26,27)28)11-18-29-20(30-34-18)14-3-5-15(6-4-14)21(23,24)25/h3-10,13H,11-12H2,1-2H3
InChIKeyVIJIMOAFPJAZHC-UHFFFAOYSA-N
XLogP5.59
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 71663306) is N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide is CC(C)N(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is VIJIMOAFPJAZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N3O3/c1-13(2)31(19(32)12-33-17-9-7-16(8-10-17)22(26,27)28)11-18-29-20(30-34-18)14-3-5-15(6-4-14)21(23,24)25/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 487.40 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 71663306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).