2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

C21H33N3O3 — CID 91924607

IUPAC2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCC(C)c1nnc(C2CN(C(=O)CC3CCCCC3)CC23CCOCC3)o1
InChIInChI=1S/C21H33N3O3/c1-15(2)19-22-23-20(27-19)17-13-24(14-21(17)8-10-26-11-9-21)18(25)12-16-6-4-3-5-7-16/h15-17H,3-14H2,1-2H3
InChIKeyHAOIBSQLDNDGMR-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.89
Rot. Bonds4

About 2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91924607) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID91924607
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCC(C)c1nnc(C2CN(C(=O)CC3CCCCC3)CC23CCOCC3)o1
InChIInChI=1S/C21H33N3O3/c1-15(2)19-22-23-20(27-19)17-13-24(14-21(17)8-10-26-11-9-21)18(25)12-16-6-4-3-5-7-16/h15-17H,3-14H2,1-2H3
InChIKeyHAOIBSQLDNDGMR-UHFFFAOYSA-N
XLogP3.89
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (CID 91924607) is 2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is CC(C)c1nnc(C2CN(C(=O)CC3CCCCC3)CC23CCOCC3)o1.
What is the InChIKey of 2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is HAOIBSQLDNDGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-15(2)19-22-23-20(27-19)17-13-24(14-21(17)8-10-26-11-9-21)18(25)12-16-6-4-3-5-7-16/h15-17H,3-14H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 375.51 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91924607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).