1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone

C12H16N2O4 — CID 2813377

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)OCCO3)no1
InChIInChI=1S/C12H16N2O4/c1-9-8-10(13-18-9)11(15)14-4-2-12(3-5-14)16-6-7-17-12/h8H,2-7H2,1H3
InChIKeyIXPIKHZUDQIROI-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.96
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 2813377) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID2813377
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)OCCO3)no1
InChIInChI=1S/C12H16N2O4/c1-9-8-10(13-18-9)11(15)14-4-2-12(3-5-14)16-6-7-17-12/h8H,2-7H2,1H3
InChIKeyIXPIKHZUDQIROI-UHFFFAOYSA-N
XLogP0.96
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone (CID 2813377) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCC3(CC2)OCCO3)no1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is IXPIKHZUDQIROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-9-8-10(13-18-9)11(15)14-4-2-12(3-5-14)16-6-7-17-12/h8H,2-7H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 252.27 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 2813377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).