2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile

C11H11N3O2 — CID 11009391

IUPAC2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile
SMILESN#CCCN1OCC(C#N)C1c1ccco1
InChIInChI=1S/C11H11N3O2/c12-4-2-5-14-11(9(7-13)8-16-14)10-3-1-6-15-10/h1,3,6,9,11H,2,5,8H2
InChIKeyWMBWELRIYSKEHR-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.62
Rot. Bonds3

About 2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile

2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile (PubChem CID 11009391) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile
PubChem CID11009391
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile
SMILESN#CCCN1OCC(C#N)C1c1ccco1
InChIInChI=1S/C11H11N3O2/c12-4-2-5-14-11(9(7-13)8-16-14)10-3-1-6-15-10/h1,3,6,9,11H,2,5,8H2
InChIKeyWMBWELRIYSKEHR-UHFFFAOYSA-N
XLogP1.62
TPSA73.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile?
The IUPAC name of 2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile (CID 11009391) is 2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile.
What is the SMILES notation for 2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile?
The canonical SMILES for 2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile is N#CCCN1OCC(C#N)C1c1ccco1.
What is the InChIKey of 2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile?
The InChIKey is WMBWELRIYSKEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-4-2-5-14-11(9(7-13)8-16-14)10-3-1-6-15-10/h1,3,6,9,11H,2,5,8H2.
What are the key properties of 2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile?
2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile has a molecular weight of 217.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoethyl)-3-(furan-2-yl)-1,2-oxazolidine-4-carbonitrile is sourced from PubChem (CID 11009391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).