4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one

C18H20N2O3 — CID 136516652

IUPAC4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCc3noc(C4CCCCC4)n3)cccc21
InChIInChI=1S/C18H20N2O3/c21-15-10-9-14-13(15)7-4-8-16(14)22-11-17-19-18(23-20-17)12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2
InChIKeyVNBHYNKMWGHJJW-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.83
Rot. Bonds4

About 4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one

4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one (PubChem CID 136516652) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one
PubChem CID136516652
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCc3noc(C4CCCCC4)n3)cccc21
InChIInChI=1S/C18H20N2O3/c21-15-10-9-14-13(15)7-4-8-16(14)22-11-17-19-18(23-20-17)12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2
InChIKeyVNBHYNKMWGHJJW-UHFFFAOYSA-N
XLogP3.83
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one (CID 136516652) is 4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one is O=C1CCc2c(OCc3noc(C4CCCCC4)n3)cccc21.
What is the InChIKey of 4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one?
The InChIKey is VNBHYNKMWGHJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-15-10-9-14-13(15)7-4-8-16(14)22-11-17-19-18(23-20-17)12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2.
What are the key properties of 4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one?
4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one has a molecular weight of 312.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 136516652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).