N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide — IUPAC name, SMILES, InChIKey & properties

Name: N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 159458572) has the molecular formula C54H43F12N11O12 and a molecular weight of 1265.98 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name	N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID	159458572
Molecular Formula	C54H43F12N11O12
Molecular Weight	1265.98 g/mol
Exact Mass	1265.29
IUPAC Name	N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILES	COCC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.CON(C)C(=O)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1.CON(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.O=C(NOCc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChI	InChI=1S/C17H12F3N3O3.C13H12F3N3O3.C12H10F3N3O3.C12H9F3N2O3/c18-17(19,20)16-21-14(22-26-16)12-6-8-13(9-7-12)15(24)23-25-10-11-4-2-1-3-5-11;1-19(21-2)10(20)7-8-3-5-9(6-4-8)11-17-12(22-18-11)13(14,15)16;1-18(20-2)10(19)8-5-3-7(4-6-8)9-16-11(21-17-9)12(13,14)15;1-19-6-9(18)7-2-4-8(5-3-7)10-16-11(20-17-10)12(13,14)15/h1-9H,10H2,(H,23,24);3-6H,7H2,1-2H3;3-6H,1-2H3;2-5H,6H2,1H3
InChIKey	LUHJGRWMYSOJIW-UHFFFAOYSA-N
XLogP	10.91
TPSA	279.39 Å²
H-Bond Donors	1
H-Bond Acceptors	20
Rotatable Bonds	16
Heavy Atoms	89
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1265.98
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?

The IUPAC name of N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 159458572) is N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

What is the SMILES notation for N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?

The canonical SMILES for N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is COCC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.CON(C)C(=O)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1.CON(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.O=C(NOCc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.

What is the InChIKey of N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?

The InChIKey is LUHJGRWMYSOJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3.C13H12F3N3O3.C12H10F3N3O3.C12H9F3N2O3/c18-17(19,20)16-21-14(22-26-16)12-6-8-13(9-7-12)15(24)23-25-10-11-4-2-1-3-5-11;1-19(21-2)10(20)7-8-3-5-9(6-4-8)11-17-12(22-18-11)13(14,15)16;1-18(20-2)10(19)8-5-3-7(4-6-8)9-16-11(21-17-9)12(13,14)15;1-19-6-9(18)7-2-4-8(5-3-7)10-16-11(20-17-10)12(13,14)15/h1-9H,10H2,(H,23,24);3-6H,7H2,1-2H3;3-6H,1-2H3;2-5H,6H2,1H3.

What are the key properties of N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?

Where does this data come from?

All data for N-methoxy-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N-methoxy-N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;N-phenylmethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 159458572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).