N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

C13H19N3O4 — CID 164637324

IUPACN-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)no1
InChIInChI=1S/C13H19N3O4/c1-9-15-11(16-20-9)12(17)14-8-10-2-3-13(19-10)4-6-18-7-5-13/h10H,2-8H2,1H3,(H,14,17)/t10-/m1/s1
InChIKeyBWZOXLFXXDNFKE-SNVBAGLBSA-N
MW281.31 g/mol
LogP0.84
Rot. Bonds3

About N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 164637324) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID164637324
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)no1
InChIInChI=1S/C13H19N3O4/c1-9-15-11(16-20-9)12(17)14-8-10-2-3-13(19-10)4-6-18-7-5-13/h10H,2-8H2,1H3,(H,14,17)/t10-/m1/s1
InChIKeyBWZOXLFXXDNFKE-SNVBAGLBSA-N
XLogP0.84
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 164637324) is N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)no1.
What is the InChIKey of N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is BWZOXLFXXDNFKE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-15-11(16-20-9)12(17)14-8-10-2-3-13(19-10)4-6-18-7-5-13/h10H,2-8H2,1H3,(H,14,17)/t10-/m1/s1.
What are the key properties of N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,8-dioxaspiro[4.5]decan-2-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 164637324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).