(4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one

C14H13N3O4 — CID 161499569

IUPAC(4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one
SMILESCCc1nc(-c2ccc3c(c2)OC[C@@]32COC(=O)N2)no1
InChIInChI=1S/C14H13N3O4/c1-2-11-15-12(17-21-11)8-3-4-9-10(5-8)19-6-14(9)7-20-13(18)16-14/h3-5H,2,6-7H2,1H3,(H,16,18)/t14-/m1/s1
InChIKeyWGQVAWVGFGMRHT-CQSZACIVSA-N
MW287.28 g/mol
LogP1.63
Rot. Bonds2

About (4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one

(4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one (PubChem CID 161499569) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is (4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one.

Molecular Properties

Compound Name(4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one
PubChem CID161499569
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name(4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one
SMILESCCc1nc(-c2ccc3c(c2)OC[C@@]32COC(=O)N2)no1
InChIInChI=1S/C14H13N3O4/c1-2-11-15-12(17-21-11)8-3-4-9-10(5-8)19-6-14(9)7-20-13(18)16-14/h3-5H,2,6-7H2,1H3,(H,16,18)/t14-/m1/s1
InChIKeyWGQVAWVGFGMRHT-CQSZACIVSA-N
XLogP1.63
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one?
The IUPAC name of (4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one (CID 161499569) is (4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one.
What is the SMILES notation for (4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one?
The canonical SMILES for (4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one is CCc1nc(-c2ccc3c(c2)OC[C@@]32COC(=O)N2)no1.
What is the InChIKey of (4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one?
The InChIKey is WGQVAWVGFGMRHT-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-2-11-15-12(17-21-11)8-3-4-9-10(5-8)19-6-14(9)7-20-13(18)16-14/h3-5H,2,6-7H2,1H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one?
(4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one has a molecular weight of 287.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6'-(5-ethyl-1,2,4-oxadiazol-3-yl)spiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one is sourced from PubChem (CID 161499569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).