2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide

C18H18N4O3 — CID 71784501

IUPAC2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C18H18N4O3/c1-12-5-2-3-6-14(12)19-16(23)11-22-9-13(10-22)18-20-17(21-25-18)15-7-4-8-24-15/h2-8,13H,9-11H2,1H3,(H,19,23)
InChIKeyDJFGOFPQXXGFJM-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.68
Rot. Bonds5

About 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide

2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 71784501) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID71784501
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C18H18N4O3/c1-12-5-2-3-6-14(12)19-16(23)11-22-9-13(10-22)18-20-17(21-25-18)15-7-4-8-24-15/h2-8,13H,9-11H2,1H3,(H,19,23)
InChIKeyDJFGOFPQXXGFJM-UHFFFAOYSA-N
XLogP2.68
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-propylacetamide
CID 90509134
4-[[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]amino]benzamide
CID 71784535
N-(2-methylphenyl)-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152298
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97354684
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-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid
CID 71784514
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 56764466
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methylphenyl)methanone
CID 90508931
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 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide (CID 71784501) is 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1CC(c2nc(-c3ccco3)no2)C1.
What is the InChIKey of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is DJFGOFPQXXGFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-5-2-3-6-14(12)19-16(23)11-22-9-13(10-22)18-20-17(21-25-18)15-7-4-8-24-15/h2-8,13H,9-11H2,1H3,(H,19,23).
What are the key properties of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide?
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 71784501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).