ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide

C12H22N4O2 — CID 164877262

IUPACethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC.CCC1CC(NCc2noc(C(N)=O)n2)C1
InChIInChI=1S/C10H16N4O2.C2H6/c1-2-6-3-7(4-6)12-5-8-13-10(9(11)15)16-14-8;1-2/h6-7,12H,2-5H2,1H3,(H2,11,15);1-2H3
InChIKeyLZUSXNJKBDHXDV-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.47
Rot. Bonds5

About ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide

ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 164877262) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Nameethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID164877262
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Nameethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC.CCC1CC(NCc2noc(C(N)=O)n2)C1
InChIInChI=1S/C10H16N4O2.C2H6/c1-2-6-3-7(4-6)12-5-8-13-10(9(11)15)16-14-8;1-2/h6-7,12H,2-5H2,1H3,(H2,11,15);1-2H3
InChIKeyLZUSXNJKBDHXDV-UHFFFAOYSA-N
XLogP1.47
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 164877262) is ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide is CC.CCC1CC(NCc2noc(C(N)=O)n2)C1.
What is the InChIKey of ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is LZUSXNJKBDHXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2.C2H6/c1-2-6-3-7(4-6)12-5-8-13-10(9(11)15)16-14-8;1-2/h6-7,12H,2-5H2,1H3,(H2,11,15);1-2H3.
What are the key properties of ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[[(3-ethylcyclobutyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 164877262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).