N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide

C13H20N4O3 — CID 167857522

IUPACN-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
SMILESCc1noc(NC(=O)N2CCOCC3(CCCC3)C2)n1
InChIInChI=1S/C13H20N4O3/c1-10-14-11(20-16-10)15-12(18)17-6-7-19-9-13(8-17)4-2-3-5-13/h2-9H2,1H3,(H,14,15,16,18)
InChIKeyWRQOQGNGVDTIKD-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.80
Rot. Bonds1

About N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide

N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide (PubChem CID 167857522) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
PubChem CID167857522
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
SMILESCc1noc(NC(=O)N2CCOCC3(CCCC3)C2)n1
InChIInChI=1S/C13H20N4O3/c1-10-14-11(20-16-10)15-12(18)17-6-7-19-9-13(8-17)4-2-3-5-13/h2-9H2,1H3,(H,14,15,16,18)
InChIKeyWRQOQGNGVDTIKD-UHFFFAOYSA-N
XLogP1.80
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide (CID 167857522) is N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide is Cc1noc(NC(=O)N2CCOCC3(CCCC3)C2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide?
The InChIKey is WRQOQGNGVDTIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10-14-11(20-16-10)15-12(18)17-6-7-19-9-13(8-17)4-2-3-5-13/h2-9H2,1H3,(H,14,15,16,18).
What are the key properties of N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide?
N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 167857522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).