N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

C13H20N6O3 — CID 91833131

IUPACN-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CN(C)Cc2noc(CC(C)C)n2)no1
InChIInChI=1S/C13H20N6O3/c1-8(2)5-11-15-9(17-21-11)6-19(4)7-10-16-13(22-18-10)12(20)14-3/h8H,5-7H2,1-4H3,(H,14,20)
InChIKeyTZBACELOJNMIAL-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.64
Rot. Bonds7

About N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 91833131) has the molecular formula C13H20N6O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID91833131
Molecular FormulaC13H20N6O3
Molecular Weight308.34 g/mol
Exact Mass308.16
IUPAC NameN-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CN(C)Cc2noc(CC(C)C)n2)no1
InChIInChI=1S/C13H20N6O3/c1-8(2)5-11-15-9(17-21-11)6-19(4)7-10-16-13(22-18-10)12(20)14-3/h8H,5-7H2,1-4H3,(H,14,20)
InChIKeyTZBACELOJNMIAL-UHFFFAOYSA-N
XLogP0.64
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 91833131) is N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(CN(C)Cc2noc(CC(C)C)n2)no1.
What is the InChIKey of N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is TZBACELOJNMIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O3/c1-8(2)5-11-15-9(17-21-11)6-19(4)7-10-16-13(22-18-10)12(20)14-3/h8H,5-7H2,1-4H3,(H,14,20).
What are the key properties of N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 91833131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).