5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole

C15H18N2O4 — CID 119052804

IUPAC5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CC3CCC4(CC3)OCCO4)n2)c1
InChIInChI=1S/C15H18N2O4/c1-2-12(18-7-1)14-16-13(21-17-14)10-11-3-5-15(6-4-11)19-8-9-20-15/h1-2,7,11H,3-6,8-10H2
InChIKeySQDKNRIPJNKETG-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.81
Rot. Bonds3

About 5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole

5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 119052804) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID119052804
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CC3CCC4(CC3)OCCO4)n2)c1
InChIInChI=1S/C15H18N2O4/c1-2-12(18-7-1)14-16-13(21-17-14)10-11-3-5-15(6-4-11)19-8-9-20-15/h1-2,7,11H,3-6,8-10H2
InChIKeySQDKNRIPJNKETG-UHFFFAOYSA-N
XLogP2.81
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole (CID 119052804) is 5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole is c1coc(-c2noc(CC3CCC4(CC3)OCCO4)n2)c1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is SQDKNRIPJNKETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-12(18-7-1)14-16-13(21-17-14)10-11-3-5-15(6-4-11)19-8-9-20-15/h1-2,7,11H,3-6,8-10H2.
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 290.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 119052804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).