3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C15H24N4O3 — CID 70750009

IUPAC3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)Cc1nc(CN2CCC3(CC2)CN(C)C(=O)O3)no1
InChIInChI=1S/C15H24N4O3/c1-11(2)8-13-16-12(17-22-13)9-19-6-4-15(5-7-19)10-18(3)14(20)21-15/h11H,4-10H2,1-3H3
InChIKeyCYDBNTUASMYZDZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.68
Rot. Bonds4

About 3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70750009) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70750009
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)Cc1nc(CN2CCC3(CC2)CN(C)C(=O)O3)no1
InChIInChI=1S/C15H24N4O3/c1-11(2)8-13-16-12(17-22-13)9-19-6-4-15(5-7-19)10-18(3)14(20)21-15/h11H,4-10H2,1-3H3
InChIKeyCYDBNTUASMYZDZ-UHFFFAOYSA-N
XLogP1.68
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70750009) is 3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)Cc1nc(CN2CCC3(CC2)CN(C)C(=O)O3)no1.
What is the InChIKey of 3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CYDBNTUASMYZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11(2)8-13-16-12(17-22-13)9-19-6-4-15(5-7-19)10-18(3)14(20)21-15/h11H,4-10H2,1-3H3.
What are the key properties of 3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 308.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70750009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).