3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

C20H32N4O4 — CID 91924617

IUPAC3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESCC(C)c1nnc(C2CN(C(=O)CCN3CCOCC3)CC23CCOCC3)o1
InChIInChI=1S/C20H32N4O4/c1-15(2)18-21-22-19(28-18)16-13-24(14-20(16)4-9-26-10-5-20)17(25)3-6-23-7-11-27-12-8-23/h15-16H,3-14H2,1-2H3
InChIKeyZHXQOELUGCDNRL-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.64
Rot. Bonds5

About 3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 91924617) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
PubChem CID91924617
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESCC(C)c1nnc(C2CN(C(=O)CCN3CCOCC3)CC23CCOCC3)o1
InChIInChI=1S/C20H32N4O4/c1-15(2)18-21-22-19(28-18)16-13-24(14-20(16)4-9-26-10-5-20)17(25)3-6-23-7-11-27-12-8-23/h15-16H,3-14H2,1-2H3
InChIKeyZHXQOELUGCDNRL-UHFFFAOYSA-N
XLogP1.64
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The IUPAC name of 3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (CID 91924617) is 3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.
What is the SMILES notation for 3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The canonical SMILES for 3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is CC(C)c1nnc(C2CN(C(=O)CCN3CCOCC3)CC23CCOCC3)o1.
What is the InChIKey of 3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The InChIKey is ZHXQOELUGCDNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-15(2)18-21-22-19(28-18)16-13-24(14-20(16)4-9-26-10-5-20)17(25)3-6-23-7-11-27-12-8-23/h15-16H,3-14H2,1-2H3.
What are the key properties of 3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 392.50 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 91924617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).