furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

C18H17N3O4 — CID 71784338

IUPACfuran-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESCOc1ccccc1Cc1noc(C2CN(C(=O)c3ccco3)C2)n1
InChIInChI=1S/C18H17N3O4/c1-23-14-6-3-2-5-12(14)9-16-19-17(25-20-16)13-10-21(11-13)18(22)15-7-4-8-24-15/h2-8,13H,9-11H2,1H3
InChIKeyORCDDUOKBFEJIU-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.50
Rot. Bonds5

About furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 71784338) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
PubChem CID71784338
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namefuran-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESCOc1ccccc1Cc1noc(C2CN(C(=O)c3ccco3)C2)n1
InChIInChI=1S/C18H17N3O4/c1-23-14-6-3-2-5-12(14)9-16-19-17(25-20-16)13-10-21(11-13)18(22)15-7-4-8-24-15/h2-8,13H,9-11H2,1H3
InChIKeyORCDDUOKBFEJIU-UHFFFAOYSA-N
XLogP2.50
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 71784338) is furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is COc1ccccc1Cc1noc(C2CN(C(=O)c3ccco3)C2)n1.
What is the InChIKey of furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The InChIKey is ORCDDUOKBFEJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-14-6-3-2-5-12(14)9-16-19-17(25-20-16)13-10-21(11-13)18(22)15-7-4-8-24-15/h2-8,13H,9-11H2,1H3.
What are the key properties of furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 339.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 71784338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).