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

C17H12F3N3O3 — CID 7556206

IUPAC2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(-c2nnco2)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)12-3-5-13(6-4-12)22-15(24)9-25-14-7-1-11(2-8-14)16-23-21-10-26-16/h1-8,10H,9H2,(H,22,24)
InChIKeyRMDFGCJGTSDPRV-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.77
Rot. Bonds5

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

2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 7556206) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID7556206
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(-c2nnco2)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)12-3-5-13(6-4-12)22-15(24)9-25-14-7-1-11(2-8-14)16-23-21-10-26-16/h1-8,10H,9H2,(H,22,24)
InChIKeyRMDFGCJGTSDPRV-UHFFFAOYSA-N
XLogP3.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 7556206) is 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccc(-c2nnco2)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RMDFGCJGTSDPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c18-17(19,20)12-3-5-13(6-4-12)22-15(24)9-25-14-7-1-11(2-8-14)16-23-21-10-26-16/h1-8,10H,9H2,(H,22,24).
What are the key properties of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 363.30 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7556206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).