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

C13H13N3O3 — CID 71784461

IUPACcyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C13H13N3O3/c17-13(8-3-4-8)16-6-9(7-16)12-14-11(15-19-12)10-2-1-5-18-10/h1-2,5,8-9H,3-4,6-7H2
InChIKeyBQDXAXQVEKUHPK-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.67
Rot. Bonds3

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

cyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (PubChem CID 71784461) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is cyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
PubChem CID71784461
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Namecyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C13H13N3O3/c17-13(8-3-4-8)16-6-9(7-16)12-14-11(15-19-12)10-2-1-5-18-10/h1-2,5,8-9H,3-4,6-7H2
InChIKeyBQDXAXQVEKUHPK-UHFFFAOYSA-N
XLogP1.67
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone (CID 71784461) is cyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is O=C(C1CC1)N1CC(c2nc(-c3ccco3)no2)C1.
What is the InChIKey of cyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
The InChIKey is BQDXAXQVEKUHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-13(8-3-4-8)16-6-9(7-16)12-14-11(15-19-12)10-2-1-5-18-10/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of cyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone?
cyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone has a molecular weight of 259.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 71784461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).