(E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide

C18H20F3N3O3 — CID 166851162

IUPAC(E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide
SMILESC/C=C/CCC(=O)N(OC)C(C)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H20F3N3O3/c1-4-5-6-7-15(25)24(26-3)12(2)13-8-10-14(11-9-13)16-22-17(27-23-16)18(19,20)21/h4-5,8-12H,6-7H2,1-3H3/b5-4+
InChIKeyBVOXBHKECJAMJW-SNAWJCMRSA-N
MW383.37 g/mol
LogP4.56
Rot. Bonds7

About (E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide

(E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide (PubChem CID 166851162) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is (E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide.

Molecular Properties

Compound Name(E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide
PubChem CID166851162
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name(E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide
SMILESC/C=C/CCC(=O)N(OC)C(C)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H20F3N3O3/c1-4-5-6-7-15(25)24(26-3)12(2)13-8-10-14(11-9-13)16-22-17(27-23-16)18(19,20)21/h4-5,8-12H,6-7H2,1-3H3/b5-4+
InChIKeyBVOXBHKECJAMJW-SNAWJCMRSA-N
XLogP4.56
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]acetamide
CID 166851163
5-chloro-4-fluoro-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pentanamide
CID 166653752
N-methoxy-5-oxo-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hexa-2,3-dienamide
CID 166851152
N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-4-enamide
CID 155768284
ethyl N-methoxy-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 153313569
N-methoxy-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 155768296
[(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
1-[cyano-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methoxy-3-methyl-1-prop-2-enylurea
CID 146521209

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide?
The IUPAC name of (E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide (CID 166851162) is (E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide.
What is the SMILES notation for (E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide?
The canonical SMILES for (E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide is C/C=C/CCC(=O)N(OC)C(C)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of (E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide?
The InChIKey is BVOXBHKECJAMJW-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-4-5-6-7-15(25)24(26-3)12(2)13-8-10-14(11-9-13)16-22-17(27-23-16)18(19,20)21/h4-5,8-12H,6-7H2,1-3H3/b5-4+.
What are the key properties of (E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide?
(E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide has a molecular weight of 383.37 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]hex-4-enamide is sourced from PubChem (CID 166851162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).