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

C17H16F3N5O4 — CID 162673053

IUPACN,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(CCCOc2ccc(-c3noc(C(F)(F)F)n3)cn2)on1
InChIInChI=1S/C17H16F3N5O4/c1-25(2)15(26)12-8-11(28-23-12)4-3-7-27-13-6-5-10(9-21-13)14-22-16(29-24-14)17(18,19)20/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyZEKDAHUVYPJVBS-UHFFFAOYSA-N
MW411.34 g/mol
LogP2.85
Rot. Bonds7

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

N,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 162673053) has the molecular formula C17H16F3N5O4 and a molecular weight of 411.34 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide
PubChem CID162673053
Molecular FormulaC17H16F3N5O4
Molecular Weight411.34 g/mol
Exact Mass411.12
IUPAC NameN,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(CCCOc2ccc(-c3noc(C(F)(F)F)n3)cn2)on1
InChIInChI=1S/C17H16F3N5O4/c1-25(2)15(26)12-8-11(28-23-12)4-3-7-27-13-6-5-10(9-21-13)14-22-16(29-24-14)17(18,19)20/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyZEKDAHUVYPJVBS-UHFFFAOYSA-N
XLogP2.85
TPSA107.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
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 N,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide (CID 162673053) is N,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide is CN(C)C(=O)c1cc(CCCOc2ccc(-c3noc(C(F)(F)F)n3)cn2)on1.
What is the InChIKey of N,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZEKDAHUVYPJVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O4/c1-25(2)15(26)12-8-11(28-23-12)4-3-7-27-13-6-5-10(9-21-13)14-22-16(29-24-14)17(18,19)20/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide?
N,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 411.34 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162673053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).