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

C18H14F3N3O4 — CID 43972336

IUPAC2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C18H14F3N3O4/c1-26-13-6-8-14(9-7-13)27-10-15(25)22-17-24-23-16(28-17)11-2-4-12(5-3-11)18(19,20)21/h2-9H,10H2,1H3,(H,22,24,25)
InChIKeyWFWLNPGTWIFXRN-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.78
Rot. Bonds6

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

2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43972336) has the molecular formula C18H14F3N3O4 and a molecular weight of 393.32 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43972336
Molecular FormulaC18H14F3N3O4
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC Name2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C18H14F3N3O4/c1-26-13-6-8-14(9-7-13)27-10-15(25)22-17-24-23-16(28-17)11-2-4-12(5-3-11)18(19,20)21/h2-9H,10H2,1H3,(H,22,24,25)
InChIKeyWFWLNPGTWIFXRN-UHFFFAOYSA-N
XLogP3.78
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972505
3-(4-methoxyphenyl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43972492
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846670
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
3-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43972444
1-(4-tert-butylphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 166963038
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43978155
2-(4-methylsulfanylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972500
2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972518
2-(4-chlorophenoxy)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976699

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43972336) is 2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide is COc1ccc(OCC(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is WFWLNPGTWIFXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4/c1-26-13-6-8-14(9-7-13)27-10-15(25)22-17-24-23-16(28-17)11-2-4-12(5-3-11)18(19,20)21/h2-9H,10H2,1H3,(H,22,24,25).
What are the key properties of 2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 393.32 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43972336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).