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

C14H20N2O4 — CID 71874733

IUPAC(5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCCc1ocnc1C(=O)N1CCC2(CC1)OCC(C)O2
InChIInChI=1S/C14H20N2O4/c1-3-11-12(15-9-18-11)13(17)16-6-4-14(5-7-16)19-8-10(2)20-14/h9-10H,3-8H2,1-2H3
InChIKeyYKXXWXUBPDLKAM-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.60
Rot. Bonds2

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

(5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 71874733) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID71874733
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCCc1ocnc1C(=O)N1CCC2(CC1)OCC(C)O2
InChIInChI=1S/C14H20N2O4/c1-3-11-12(15-9-18-11)13(17)16-6-4-14(5-7-16)19-8-10(2)20-14/h9-10H,3-8H2,1-2H3
InChIKeyYKXXWXUBPDLKAM-UHFFFAOYSA-N
XLogP1.60
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 71874733) is (5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is CCc1ocnc1C(=O)N1CCC2(CC1)OCC(C)O2.
What is the InChIKey of (5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is YKXXWXUBPDLKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-11-12(15-9-18-11)13(17)16-6-4-14(5-7-16)19-8-10(2)20-14/h9-10H,3-8H2,1-2H3.
What are the key properties of (5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 280.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 71874733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).