3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

C10H16N4O2 — CID 167184981

IUPAC3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CC(CNCc2noc(C(N)=O)n2)C1
InChIInChI=1S/C10H16N4O2/c1-6-2-7(3-6)4-12-5-8-13-10(9(11)15)16-14-8/h6-7,12H,2-5H2,1H3,(H2,11,15)
InChIKeyYYCHJPZROJBEBF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.30
Rot. Bonds5

About 3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 167184981) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID167184981
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CC(CNCc2noc(C(N)=O)n2)C1
InChIInChI=1S/C10H16N4O2/c1-6-2-7(3-6)4-12-5-8-13-10(9(11)15)16-14-8/h6-7,12H,2-5H2,1H3,(H2,11,15)
InChIKeyYYCHJPZROJBEBF-UHFFFAOYSA-N
XLogP0.30
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 167184981) is 3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is CC1CC(CNCc2noc(C(N)=O)n2)C1.
What is the InChIKey of 3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is YYCHJPZROJBEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-2-7(3-6)4-12-5-8-13-10(9(11)15)16-14-8/h6-7,12H,2-5H2,1H3,(H2,11,15).
What are the key properties of 3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 167184981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).