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

C13H18N2O4 — CID 1245987

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H18N2O4/c1-9-11(10(2)19-14-9)12(16)15-5-3-13(4-6-15)17-7-8-18-13/h3-8H2,1-2H3
InChIKeyRDLKNCBKTOQFBW-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.27
Rot. Bonds1

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

(3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 1245987) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID1245987
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H18N2O4/c1-9-11(10(2)19-14-9)12(16)15-5-3-13(4-6-15)17-7-8-18-13/h3-8H2,1-2H3
InChIKeyRDLKNCBKTOQFBW-UHFFFAOYSA-N
XLogP1.27
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 1245987) is (3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cc1noc(C)c1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is RDLKNCBKTOQFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-11(10(2)19-14-9)12(16)15-5-3-13(4-6-15)17-7-8-18-13/h3-8H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 1245987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).