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

C21H27N3O3 — CID 91924620

IUPAC2-phenyl-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/C21H27N3O3/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/h3-7,15,17H,8-14H2,1-2H3
InChIKeySMRNABHQUQNXHB-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.16
Rot. Bonds4

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

2-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91924620) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-phenyl-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-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID91924620
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name2-phenyl-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/C21H27N3O3/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/h3-7,15,17H,8-14H2,1-2H3
InChIKeySMRNABHQUQNXHB-UHFFFAOYSA-N
XLogP3.16
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-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-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (CID 91924620) is 2-phenyl-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-phenyl-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-phenyl-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-phenyl-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 SMRNABHQUQNXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/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/h3-7,15,17H,8-14H2,1-2H3.
What are the key properties of 2-phenyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
2-phenyl-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 369.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-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 91924620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).