5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide

C17H18ClF4N3O3 — CID 166653752

IUPAC5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide
SMILESCON(C(=O)CCC(F)CCl)C(C)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C17H18ClF4N3O3/c1-10(25(27-2)14(26)8-7-13(19)9-18)11-3-5-12(6-4-11)15-23-16(28-24-15)17(20,21)22/h3-6,10,13H,7-9H2,1-2H3
InChIKeyKODOFQGDXZLNBQ-UHFFFAOYSA-N
MW423.79 g/mol
LogP4.56
Rot. Bonds8

About 5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide

5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide (PubChem CID 166653752) has the molecular formula C17H18ClF4N3O3 and a molecular weight of 423.79 g/mol. Its IUPAC name is 5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide
PubChem CID166653752
Molecular FormulaC17H18ClF4N3O3
Molecular Weight423.79 g/mol
Exact Mass423.10
IUPAC Name5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide
SMILESCON(C(=O)CCC(F)CCl)C(C)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C17H18ClF4N3O3/c1-10(25(27-2)14(26)8-7-13(19)9-18)11-3-5-12(6-4-11)15-23-16(28-24-15)17(20,21)22/h3-6,10,13H,7-9H2,1-2H3
InChIKeyKODOFQGDXZLNBQ-UHFFFAOYSA-N
XLogP4.56
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.79
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide
CID 166851162
N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]acetamide
CID 166851163
N-methoxy-5-oxo-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hexa-2,3-dienamide
CID 166851152
ethyl N-methoxy-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 153313569
1-methoxy-3-methyl-3-propan-2-yl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521098
[(1R)-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl] carbamate
CID 142514355
2-methoxy-N-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 153313568
4-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentanamide
CID 120561997
N,3-dimethoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768779
methyl N-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 151854523
N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-4-enamide
CID 155768284
3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentane-2,4-dione
CID 137412256

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide?
The IUPAC name of 5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide (CID 166653752) is 5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide.
What is the SMILES notation for 5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide?
The canonical SMILES for 5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide is CON(C(=O)CCC(F)CCl)C(C)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of 5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide?
The InChIKey is KODOFQGDXZLNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF4N3O3/c1-10(25(27-2)14(26)8-7-13(19)9-18)11-3-5-12(6-4-11)15-23-16(28-24-15)17(20,21)22/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide?
5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide has a molecular weight of 423.79 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide is sourced from PubChem (CID 166653752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).