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

C16H14N4O4 — CID 71784460

IUPAC[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C16H14N4O4/c1-22-15-11(4-2-6-17-15)16(21)20-8-10(9-20)14-18-13(19-24-14)12-5-3-7-23-12/h2-7,10H,8-9H2,1H3
InChIKeyZCWJJPQEBLEPMF-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.97
Rot. Bonds4

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

[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 71784460) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is [3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID71784460
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C16H14N4O4/c1-22-15-11(4-2-6-17-15)16(21)20-8-10(9-20)14-18-13(19-24-14)12-5-3-7-23-12/h2-7,10H,8-9H2,1H3
InChIKeyZCWJJPQEBLEPMF-UHFFFAOYSA-N
XLogP1.97
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 71784460) is [3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CC(c2nc(-c3ccco3)no2)C1.
What is the InChIKey of [3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is ZCWJJPQEBLEPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-22-15-11(4-2-6-17-15)16(21)20-8-10(9-20)14-18-13(19-24-14)12-5-3-7-23-12/h2-7,10H,8-9H2,1H3.
What are the key properties of [3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 326.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 71784460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).