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

C21H20F3N3O3 — CID 71663305

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O3/c1-14(2)27(12-18-25-20(26-30-18)15-6-4-3-5-7-15)19(28)13-29-17-10-8-16(9-11-17)21(22,23)24/h3-11,14H,12-13H2,1-2H3
InChIKeyHKOOOUPLSFQABT-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.57
Rot. Bonds7

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

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 71663305) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID71663305
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O3/c1-14(2)27(12-18-25-20(26-30-18)15-6-4-3-5-7-15)19(28)13-29-17-10-8-16(9-11-17)21(22,23)24/h3-11,14H,12-13H2,1-2H3
InChIKeyHKOOOUPLSFQABT-UHFFFAOYSA-N
XLogP4.57
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 71663305) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is HKOOOUPLSFQABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-14(2)27(12-18-25-20(26-30-18)15-6-4-3-5-7-15)19(28)13-29-17-10-8-16(9-11-17)21(22,23)24/h3-11,14H,12-13H2,1-2H3.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 419.40 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 71663305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).