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

C14H20N2O4 — CID 84583797

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H20N2O4/c1-10(2)12-11(15-9-18-12)13(17)16-5-3-14(4-6-16)19-7-8-20-14/h9-10H,3-8H2,1-2H3
InChIKeyKEXVIHKQHRJASW-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.78
Rot. Bonds2

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 84583797) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID84583797
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H20N2O4/c1-10(2)12-11(15-9-18-12)13(17)16-5-3-14(4-6-16)19-7-8-20-14/h9-10H,3-8H2,1-2H3
InChIKeyKEXVIHKQHRJASW-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 84583797) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is CC(C)c1ocnc1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is KEXVIHKQHRJASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)12-11(15-9-18-12)13(17)16-5-3-14(4-6-16)19-7-8-20-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 280.32 g/mol, XLogP of 1.78, 2 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-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 84583797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).