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

C20H31N3O3 — CID 91912368

IUPAC2-cyclopentyl-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)CC3CCCC3)CC23CCOCC3)o1
InChIInChI=1S/C20H31N3O3/c1-14(2)18-21-22-19(26-18)16-12-23(13-20(16)7-9-25-10-8-20)17(24)11-15-5-3-4-6-15/h14-16H,3-13H2,1-2H3
InChIKeyLUMICPSZBLMREN-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.50
Rot. Bonds4

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

2-cyclopentyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91912368) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-cyclopentyl-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-cyclopentyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID91912368
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-cyclopentyl-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)CC3CCCC3)CC23CCOCC3)o1
InChIInChI=1S/C20H31N3O3/c1-14(2)18-21-22-19(26-18)16-12-23(13-20(16)7-9-25-10-8-20)17(24)11-15-5-3-4-6-15/h14-16H,3-13H2,1-2H3
InChIKeyLUMICPSZBLMREN-UHFFFAOYSA-N
XLogP3.50
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-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-cyclopentyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (CID 91912368) is 2-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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)CC3CCCC3)CC23CCOCC3)o1.
What is the InChIKey of 2-cyclopentyl-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 LUMICPSZBLMREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14(2)18-21-22-19(26-18)16-12-23(13-20(16)7-9-25-10-8-20)17(24)11-15-5-3-4-6-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
2-cyclopentyl-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 361.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-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 91912368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).