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

C22H22F3N3O3 — CID 71663503

IUPAC2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C(C)C)cc1
InChIInChI=1S/C22H22F3N3O3/c1-14(2)28(20(29)13-30-18-10-4-15(3)5-11-18)12-19-26-21(27-31-19)16-6-8-17(9-7-16)22(23,24)25/h4-11,14H,12-13H2,1-3H3
InChIKeyIRZFDADBZDTNBT-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.88
Rot. Bonds7

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

2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 71663503) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID71663503
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC Name2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C(C)C)cc1
InChIInChI=1S/C22H22F3N3O3/c1-14(2)28(20(29)13-30-18-10-4-15(3)5-11-18)12-19-26-21(27-31-19)16-6-8-17(9-7-16)22(23,24)25/h4-11,14H,12-13H2,1-3H3
InChIKeyIRZFDADBZDTNBT-UHFFFAOYSA-N
XLogP4.88
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 71663503) is 2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide is Cc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C(C)C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is IRZFDADBZDTNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-14(2)28(20(29)13-30-18-10-4-15(3)5-11-18)12-19-26-21(27-31-19)16-6-8-17(9-7-16)22(23,24)25/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 433.43 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-propan-2-yl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 71663503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).