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

C19H17FN4O7 — CID 71784502

IUPACN-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid
SMILESO=C(CN1CC(c2nc(-c3ccco3)no2)C1)Nc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C17H15FN4O3.C2H2O4/c18-12-4-1-2-5-13(12)19-15(23)10-22-8-11(9-22)17-20-16(21-25-17)14-6-3-7-24-14;3-1(4)2(5)6/h1-7,11H,8-10H2,(H,19,23);(H,3,4)(H,5,6)
InChIKeyGXOTWLUVKIRUDG-UHFFFAOYSA-N
MW432.36 g/mol
LogP1.66
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid (PubChem CID 71784502) has the molecular formula C19H17FN4O7 and a molecular weight of 432.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid
PubChem CID71784502
Molecular FormulaC19H17FN4O7
Molecular Weight432.36 g/mol
Exact Mass432.11
IUPAC NameN-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid
SMILESO=C(CN1CC(c2nc(-c3ccco3)no2)C1)Nc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C17H15FN4O3.C2H2O4/c18-12-4-1-2-5-13(12)19-15(23)10-22-8-11(9-22)17-20-16(21-25-17)14-6-3-7-24-14;3-1(4)2(5)6/h1-7,11H,8-10H2,(H,19,23);(H,3,4)(H,5,6)
InChIKeyGXOTWLUVKIRUDG-UHFFFAOYSA-N
XLogP1.66
TPSA159.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
N-(2-ethoxyphenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 90509106
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid
CID 71784514
4-[[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]amino]benzamide
CID 71784535
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-propylacetamide
CID 90509134
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-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 90509084
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-4-phenylbutane-1,4-dione
CID 90508873
N-(2-fluorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486533
N-(furan-2-ylmethyl)-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide;oxalic acid
CID 71784003
N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 90509208

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid?
The IUPAC name of N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid (CID 71784502) is N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid is O=C(CN1CC(c2nc(-c3ccco3)no2)C1)Nc1ccccc1F.O=C(O)C(=O)O.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid?
The InChIKey is GXOTWLUVKIRUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3.C2H2O4/c18-12-4-1-2-5-13(12)19-15(23)10-22-8-11(9-22)17-20-16(21-25-17)14-6-3-7-24-14;3-1(4)2(5)6/h1-7,11H,8-10H2,(H,19,23);(H,3,4)(H,5,6).
What are the key properties of N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid?
N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid has a molecular weight of 432.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid is sourced from PubChem (CID 71784502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).