N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide

C19H16F3N5O2 — CID 71784169

IUPACN-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
SMILESO=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)Nc1cccnc1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)14-4-1-3-12(7-14)17-25-18(29-26-17)13-9-27(10-13)11-16(28)24-15-5-2-6-23-8-15/h1-8,13H,9-11H2,(H,24,28)
InChIKeyYPYSPHCEDOOXHE-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.19
Rot. Bonds5

About N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide

N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide (PubChem CID 71784169) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
PubChem CID71784169
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC NameN-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
SMILESO=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)Nc1cccnc1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)14-4-1-3-12(7-14)17-25-18(29-26-17)13-9-27(10-13)11-16(28)24-15-5-2-6-23-8-15/h1-8,13H,9-11H2,(H,24,28)
InChIKeyYPYSPHCEDOOXHE-UHFFFAOYSA-N
XLogP3.19
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 71784129
1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095594
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
N-(3-fluorophenyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
CID 42930392
5-[1-[(4-bromophenyl)methyl]azetidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;oxalic acid
CID 71784154
N-thiophen-2-yl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 71784173
2-(4-fluorophenyl)-1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 71784104
3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
CID 121095898
(3-chlorophenyl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121095643
5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 95830092
5-[1-[(2-methylphenyl)methyl]azetidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 71784157
3-[3-(trifluoromethyl)phenyl]-5-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121095970

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?
The IUPAC name of N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide (CID 71784169) is N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide.
What is the SMILES notation for N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?
The canonical SMILES for N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide is O=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?
The InChIKey is YPYSPHCEDOOXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c20-19(21,22)14-4-1-3-12(7-14)17-25-18(29-26-17)13-9-27(10-13)11-16(28)24-15-5-2-6-23-8-15/h1-8,13H,9-11H2,(H,24,28).
What are the key properties of N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?
N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide has a molecular weight of 403.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide is sourced from PubChem (CID 71784169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).