3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide

C22H21F3N4O5 — CID 121095898

IUPAC3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc(OC)c1OC
InChIInChI=1S/C22H21F3N4O5/c1-31-16-8-15(9-17(32-2)18(16)33-3)26-21(30)29-10-13(11-29)20-27-19(28-34-20)12-5-4-6-14(7-12)22(23,24)25/h4-9,13H,10-11H2,1-3H3,(H,26,30)
InChIKeyVBEVCYCZEFPWOY-UHFFFAOYSA-N
MW478.43 g/mol
LogP4.41
Rot. Bonds6

About 3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide

3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide (PubChem CID 121095898) has the molecular formula C22H21F3N4O5 and a molecular weight of 478.43 g/mol. Its IUPAC name is 3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
PubChem CID121095898
Molecular FormulaC22H21F3N4O5
Molecular Weight478.43 g/mol
Exact Mass478.15
IUPAC Name3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc(OC)c1OC
InChIInChI=1S/C22H21F3N4O5/c1-31-16-8-15(9-17(32-2)18(16)33-3)26-21(30)29-10-13(11-29)20-27-19(28-34-20)12-5-4-6-14(7-12)22(23,24)25/h4-9,13H,10-11H2,1-3H3,(H,26,30)
InChIKeyVBEVCYCZEFPWOY-UHFFFAOYSA-N
XLogP4.41
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095594
N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 71784173
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide
CID 121096864
N-(5-chloro-2-methoxyphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 121095489
(3-chlorophenyl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121095643
2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 71784129
2-(4-fluorophenyl)-1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 71784104
1-[2-oxo-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 71784114
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121096569
(1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 71784092
N-(3-methoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760777
N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 71784169

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide (CID 121095898) is 3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide is COc1cc(NC(=O)N2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc(OC)c1OC.
What is the InChIKey of 3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The InChIKey is VBEVCYCZEFPWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O5/c1-31-16-8-15(9-17(32-2)18(16)33-3)26-21(30)29-10-13(11-29)20-27-19(28-34-20)12-5-4-6-14(7-12)22(23,24)25/h4-9,13H,10-11H2,1-3H3,(H,26,30).
What are the key properties of 3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide has a molecular weight of 478.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 121095898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).