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

C20H18F3N3O3 — CID 2979894

IUPAC4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCOc1ccccc1-c1noc(CCCC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H18F3N3O3/c1-28-16-9-3-2-8-15(16)19-25-18(29-26-19)11-5-10-17(27)24-14-7-4-6-13(12-14)20(21,22)23/h2-4,6-9,12H,5,10-11H2,1H3,(H,24,27)
InChIKeyWEEIKRUUIUEVPC-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.73
Rot. Bonds7

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

4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 2979894) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID2979894
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCOc1ccccc1-c1noc(CCCC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H18F3N3O3/c1-28-16-9-3-2-8-15(16)19-25-18(29-26-19)11-5-10-17(27)24-14-7-4-6-13(12-14)20(21,22)23/h2-4,6-9,12H,5,10-11H2,1H3,(H,24,27)
InChIKeyWEEIKRUUIUEVPC-UHFFFAOYSA-N
XLogP4.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide (CID 2979894) is 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide is COc1ccccc1-c1noc(CCCC(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is WEEIKRUUIUEVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-28-16-9-3-2-8-15(16)19-25-18(29-26-19)11-5-10-17(27)24-14-7-4-6-13(12-14)20(21,22)23/h2-4,6-9,12H,5,10-11H2,1H3,(H,24,27).
What are the key properties of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 405.38 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 2979894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).