(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate

C18H24N2O4 — CID 166279946

IUPAC(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate
SMILESO=C1CC(C(=O)OCc2noc(C3CCCCC3)n2)C2(CCC2)C1
InChIInChI=1S/C18H24N2O4/c21-13-9-14(18(10-13)7-4-8-18)17(22)23-11-15-19-16(24-20-15)12-5-2-1-3-6-12/h12,14H,1-11H2
InChIKeyFCINHLYFOOVQQX-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.31
Rot. Bonds4

About (5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate

(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate (PubChem CID 166279946) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate.

Molecular Properties

Compound Name(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate
PubChem CID166279946
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate
SMILESO=C1CC(C(=O)OCc2noc(C3CCCCC3)n2)C2(CCC2)C1
InChIInChI=1S/C18H24N2O4/c21-13-9-14(18(10-13)7-4-8-18)17(22)23-11-15-19-16(24-20-15)12-5-2-1-3-6-12/h12,14H,1-11H2
InChIKeyFCINHLYFOOVQQX-UHFFFAOYSA-N
XLogP3.31
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate?
The IUPAC name of (5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate (CID 166279946) is (5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate.
What is the SMILES notation for (5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate?
The canonical SMILES for (5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate is O=C1CC(C(=O)OCc2noc(C3CCCCC3)n2)C2(CCC2)C1.
What is the InChIKey of (5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate?
The InChIKey is FCINHLYFOOVQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-13-9-14(18(10-13)7-4-8-18)17(22)23-11-15-19-16(24-20-15)12-5-2-1-3-6-12/h12,14H,1-11H2.
What are the key properties of (5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate?
(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl 6-oxospiro[3.4]octane-8-carboxylate is sourced from PubChem (CID 166279946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).