N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

C15H24N6O3 — CID 72926386

IUPACN-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN2CCN(C)C3(CCNC(=O)CC3)C2)n1
InChIInChI=1S/C15H24N6O3/c1-16-14(23)13-18-12(24-19-13)9-21-8-7-20(2)15(10-21)4-3-11(22)17-6-5-15/h3-10H2,1-2H3,(H,16,23)(H,17,22)
InChIKeyYXFRRSZYGHXQEY-UHFFFAOYSA-N
MW336.40 g/mol
LogP-0.78
Rot. Bonds3

About N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 72926386) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID72926386
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC NameN-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN2CCN(C)C3(CCNC(=O)CC3)C2)n1
InChIInChI=1S/C15H24N6O3/c1-16-14(23)13-18-12(24-19-13)9-21-8-7-20(2)15(10-21)4-3-11(22)17-6-5-15/h3-10H2,1-2H3,(H,16,23)(H,17,22)
InChIKeyYXFRRSZYGHXQEY-UHFFFAOYSA-N
XLogP-0.78
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 72926386) is N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CN2CCN(C)C3(CCNC(=O)CC3)C2)n1.
What is the InChIKey of N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is YXFRRSZYGHXQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-16-14(23)13-18-12(24-19-13)9-21-8-7-20(2)15(10-21)4-3-11(22)17-6-5-15/h3-10H2,1-2H3,(H,16,23)(H,17,22).
What are the key properties of N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 72926386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).