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

C20H31N3O3 — CID 91924559

IUPACcyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCC(C)c1nnc(C2CN(C(=O)C3CCCCC3)CC23CCOCC3)o1
InChIInChI=1S/C20H31N3O3/c1-14(2)17-21-22-18(26-17)16-12-23(13-20(16)8-10-25-11-9-20)19(24)15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3
InChIKeyIRSRFCGQZUPOEY-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.50
Rot. Bonds3

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

cyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91924559) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is cyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91924559
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Namecyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCC(C)c1nnc(C2CN(C(=O)C3CCCCC3)CC23CCOCC3)o1
InChIInChI=1S/C20H31N3O3/c1-14(2)17-21-22-18(26-17)16-12-23(13-20(16)8-10-25-11-9-20)19(24)15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3
InChIKeyIRSRFCGQZUPOEY-UHFFFAOYSA-N
XLogP3.50
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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 cyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91924559) is cyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is CC(C)c1nnc(C2CN(C(=O)C3CCCCC3)CC23CCOCC3)o1.
What is the InChIKey of cyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is IRSRFCGQZUPOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14(2)17-21-22-18(26-17)16-12-23(13-20(16)8-10-25-11-9-20)19(24)15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3.
What are the key properties of cyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
cyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91924559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).