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

C17H16N4O3 — CID 90509184

IUPAC3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(c3nc(-c4ccco4)no3)C2)cc1
InChIInChI=1S/C17H16N4O3/c1-11-4-6-13(7-5-11)18-17(22)21-9-12(10-21)16-19-15(20-24-16)14-3-2-8-23-14/h2-8,12H,9-10H2,1H3,(H,18,22)
InChIKeyWBEHVWHRGDBCCP-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.27
Rot. Bonds3

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

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide (PubChem CID 90509184) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide
PubChem CID90509184
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(c3nc(-c4ccco4)no3)C2)cc1
InChIInChI=1S/C17H16N4O3/c1-11-4-6-13(7-5-11)18-17(22)21-9-12(10-21)16-19-15(20-24-16)14-3-2-8-23-14/h2-8,12H,9-10H2,1H3,(H,18,22)
InChIKeyWBEHVWHRGDBCCP-UHFFFAOYSA-N
XLogP3.27
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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
(3,5-dimethylphenyl)-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 90508932
N-(4-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097314
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylazetidine-1-carboxamide
CID 90509211
4-[[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]amino]benzamide
CID 71784535
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 90508937
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide
CID 71784501
3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 90509224
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
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-thiophen-3-ylmethanone
CID 71784488

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide (CID 90509184) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide is Cc1ccc(NC(=O)N2CC(c3nc(-c4ccco4)no3)C2)cc1.
What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide?
The InChIKey is WBEHVWHRGDBCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-4-6-13(7-5-11)18-17(22)21-9-12(10-21)16-19-15(20-24-16)14-3-2-8-23-14/h2-8,12H,9-10H2,1H3,(H,18,22).
What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide?
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 90509184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).