8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one

C13H16N2O4 — CID 132775486

IUPAC8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESCc1nc(C(=O)N2CCC3(CCCO3)C(=O)C2)co1
InChIInChI=1S/C13H16N2O4/c1-9-14-10(8-18-9)12(17)15-5-4-13(11(16)7-15)3-2-6-19-13/h8H,2-7H2,1H3
InChIKeyMAONWVLKCGIPCC-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.95
Rot. Bonds1

About 8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one

8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one (PubChem CID 132775486) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
PubChem CID132775486
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESCc1nc(C(=O)N2CCC3(CCCO3)C(=O)C2)co1
InChIInChI=1S/C13H16N2O4/c1-9-14-10(8-18-9)12(17)15-5-4-13(11(16)7-15)3-2-6-19-13/h8H,2-7H2,1H3
InChIKeyMAONWVLKCGIPCC-UHFFFAOYSA-N
XLogP0.95
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The IUPAC name of 8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one (CID 132775486) is 8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one.
What is the SMILES notation for 8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The canonical SMILES for 8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one is Cc1nc(C(=O)N2CCC3(CCCO3)C(=O)C2)co1.
What is the InChIKey of 8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The InChIKey is MAONWVLKCGIPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9-14-10(8-18-9)12(17)15-5-4-13(11(16)7-15)3-2-6-19-13/h8H,2-7H2,1H3.
What are the key properties of 8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one has a molecular weight of 264.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one is sourced from PubChem (CID 132775486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).