9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane

C14H23N3O2 — CID 71968451

IUPAC9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCC(C)c1nnc(CN2CCOC3(CCCC3)C2)o1
InChIInChI=1S/C14H23N3O2/c1-11(2)13-16-15-12(19-13)9-17-7-8-18-14(10-17)5-3-4-6-14/h11H,3-10H2,1-2H3
InChIKeyXRNLKRHVISWRSU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.34
Rot. Bonds3

About 9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane

9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71968451) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID71968451
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCC(C)c1nnc(CN2CCOC3(CCCC3)C2)o1
InChIInChI=1S/C14H23N3O2/c1-11(2)13-16-15-12(19-13)9-17-7-8-18-14(10-17)5-3-4-6-14/h11H,3-10H2,1-2H3
InChIKeyXRNLKRHVISWRSU-UHFFFAOYSA-N
XLogP2.34
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane (CID 71968451) is 9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane is CC(C)c1nnc(CN2CCOC3(CCCC3)C2)o1.
What is the InChIKey of 9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is XRNLKRHVISWRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)13-16-15-12(19-13)9-17-7-8-18-14(10-17)5-3-4-6-14/h11H,3-10H2,1-2H3.
What are the key properties of 9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 265.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71968451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).