8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C12H17N3O3 — CID 71930561

IUPAC8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1COC2(CCN(c3nc(C4CC4)no3)CC2)O1
InChIInChI=1S/C12H17N3O3/c1-2-9(1)10-13-11(18-14-10)15-5-3-12(4-6-15)16-7-8-17-12/h9H,1-8H2
InChIKeyXTHZBLAZHLQIFU-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.29
Rot. Bonds2

About 8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 71930561) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID71930561
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1COC2(CCN(c3nc(C4CC4)no3)CC2)O1
InChIInChI=1S/C12H17N3O3/c1-2-9(1)10-13-11(18-14-10)15-5-3-12(4-6-15)16-7-8-17-12/h9H,1-8H2
InChIKeyXTHZBLAZHLQIFU-UHFFFAOYSA-N
XLogP1.29
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 71930561) is 8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane is C1COC2(CCN(c3nc(C4CC4)no3)CC2)O1.
What is the InChIKey of 8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is XTHZBLAZHLQIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-9(1)10-13-11(18-14-10)15-5-3-12(4-6-15)16-7-8-17-12/h9H,1-8H2.
What are the key properties of 8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 251.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 71930561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).