3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide

C11H18N4O2 — CID 164877131

IUPAC3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)C1CC(NCc2noc(C(N)=O)n2)C1
InChIInChI=1S/C11H18N4O2/c1-6(2)7-3-8(4-7)13-5-9-14-11(10(12)16)17-15-9/h6-8,13H,3-5H2,1-2H3,(H2,12,16)
InChIKeyKLUBZCREELKJDL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.69
Rot. Bonds5

About 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 164877131) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID164877131
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)C1CC(NCc2noc(C(N)=O)n2)C1
InChIInChI=1S/C11H18N4O2/c1-6(2)7-3-8(4-7)13-5-9-14-11(10(12)16)17-15-9/h6-8,13H,3-5H2,1-2H3,(H2,12,16)
InChIKeyKLUBZCREELKJDL-UHFFFAOYSA-N
XLogP0.69
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 164877131) is 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide is CC(C)C1CC(NCc2noc(C(N)=O)n2)C1.
What is the InChIKey of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is KLUBZCREELKJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-6(2)7-3-8(4-7)13-5-9-14-11(10(12)16)17-15-9/h6-8,13H,3-5H2,1-2H3,(H2,12,16).
What are the key properties of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 164877131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).