2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid

C20H17F3N4O8 — CID 71784514

IUPAC2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid
SMILESO=C(CN1CC(c2nc(-c3ccco3)no2)C1)Nc1ccc(OC(F)(F)F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H15F3N4O4.C2H2O4/c19-18(20,21)28-13-5-3-12(4-6-13)22-15(26)10-25-8-11(9-25)17-23-16(24-29-17)14-2-1-7-27-14;3-1(4)2(5)6/h1-7,11H,8-10H2,(H,22,26);(H,3,4)(H,5,6)
InChIKeyYBBNASBXCIMYIL-UHFFFAOYSA-N
MW498.37 g/mol
LogP2.42
Rot. Bonds6

About 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid

2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid (PubChem CID 71784514) has the molecular formula C20H17F3N4O8 and a molecular weight of 498.37 g/mol. Its IUPAC name is 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid.

Molecular Properties

Compound Name2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid
PubChem CID71784514
Molecular FormulaC20H17F3N4O8
Molecular Weight498.37 g/mol
Exact Mass498.10
IUPAC Name2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid
SMILESO=C(CN1CC(c2nc(-c3ccco3)no2)C1)Nc1ccc(OC(F)(F)F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H15F3N4O4.C2H2O4/c19-18(20,21)28-13-5-3-12(4-6-13)22-15(26)10-25-8-11(9-25)17-23-16(24-29-17)14-2-1-7-27-14;3-1(4)2(5)6/h1-7,11H,8-10H2,(H,22,26);(H,3,4)(H,5,6)
InChIKeyYBBNASBXCIMYIL-UHFFFAOYSA-N
XLogP2.42
TPSA168.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]amino]benzamide
CID 71784535
N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid
CID 71784502
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide
CID 71784501
N-(2,3-dimethylphenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 90509090
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-propylacetamide
CID 90509134
N-(2-ethoxyphenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 90509106
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 90509184
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97354684
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 46321383
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 90508937
1-[(3S,5S)-1-methyl-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]-3-phenylurea
CID 28960736
N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid
CID 71784003

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid?
The IUPAC name of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid (CID 71784514) is 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid.
What is the SMILES notation for 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid?
The canonical SMILES for 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid is O=C(CN1CC(c2nc(-c3ccco3)no2)C1)Nc1ccc(OC(F)(F)F)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid?
The InChIKey is YBBNASBXCIMYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4.C2H2O4/c19-18(20,21)28-13-5-3-12(4-6-13)22-15(26)10-25-8-11(9-25)17-23-16(24-29-17)14-2-1-7-27-14;3-1(4)2(5)6/h1-7,11H,8-10H2,(H,22,26);(H,3,4)(H,5,6).
What are the key properties of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid?
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid has a molecular weight of 498.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid is sourced from PubChem (CID 71784514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).