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

C12H18N6O2 — CID 91828559

IUPACN-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN(C)CCn2ccnc2C)n1
InChIInChI=1S/C12H18N6O2/c1-9-14-4-5-18(9)7-6-17(3)8-10-15-11(16-20-10)12(19)13-2/h4-5H,6-8H2,1-3H3,(H,13,19)
InChIKeyXJBVNCCQOYSBAX-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.07
Rot. Bonds6

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

N-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 91828559) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID91828559
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN(C)CCn2ccnc2C)n1
InChIInChI=1S/C12H18N6O2/c1-9-14-4-5-18(9)7-6-17(3)8-10-15-11(16-20-10)12(19)13-2/h4-5H,6-8H2,1-3H3,(H,13,19)
InChIKeyXJBVNCCQOYSBAX-UHFFFAOYSA-N
XLogP0.07
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 91828559) is N-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CN(C)CCn2ccnc2C)n1.
What is the InChIKey of N-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is XJBVNCCQOYSBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-9-14-4-5-18(9)7-6-17(3)8-10-15-11(16-20-10)12(19)13-2/h4-5H,6-8H2,1-3H3,(H,13,19).
What are the key properties of N-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 91828559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).