5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide

C20H20F3N5O5 — CID 162673562

IUPAC5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1cc(-c2noc(C(F)(F)F)n2)ccc1OCCCc1cc(C(=O)N(C)C)no1
InChIInChI=1S/C20H20F3N5O5/c1-11(29)24-14-9-12(17-25-19(33-27-17)20(21,22)23)6-7-16(14)31-8-4-5-13-10-15(26-32-13)18(30)28(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,29)
InChIKeyIJOQTQDAZWDEDT-UHFFFAOYSA-N
MW467.40 g/mol
LogP3.42
Rot. Bonds8

About 5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide

5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 162673562) has the molecular formula C20H20F3N5O5 and a molecular weight of 467.40 g/mol. Its IUPAC name is 5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID162673562
Molecular FormulaC20H20F3N5O5
Molecular Weight467.40 g/mol
Exact Mass467.14
IUPAC Name5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1cc(-c2noc(C(F)(F)F)n2)ccc1OCCCc1cc(C(=O)N(C)C)no1
InChIInChI=1S/C20H20F3N5O5/c1-11(29)24-14-9-12(17-25-19(33-27-17)20(21,22)23)6-7-16(14)31-8-4-5-13-10-15(26-32-13)18(30)28(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,29)
InChIKeyIJOQTQDAZWDEDT-UHFFFAOYSA-N
XLogP3.42
TPSA123.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide (CID 162673562) is 5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide is CC(=O)Nc1cc(-c2noc(C(F)(F)F)n2)ccc1OCCCc1cc(C(=O)N(C)C)no1.
What is the InChIKey of 5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is IJOQTQDAZWDEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O5/c1-11(29)24-14-9-12(17-25-19(33-27-17)20(21,22)23)6-7-16(14)31-8-4-5-13-10-15(26-32-13)18(30)28(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,29).
What are the key properties of 5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide?
5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 467.40 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-acetamido-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-N,N-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162673562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).