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

C15H30N4O2 — CID 164877100

IUPACethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC.CC.CCC1CC(CNCc2noc(C(N)=O)n2)C1
InChIInChI=1S/C11H18N4O2.2C2H6/c1-2-7-3-8(4-7)5-13-6-9-14-11(10(12)16)17-15-9;2*1-2/h7-8,13H,2-6H2,1H3,(H2,12,16);2*1-2H3
InChIKeyDXJLPSSVNSWGRX-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.75
Rot. Bonds6

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

ethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 164877100) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Nameethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID164877100
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Nameethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC.CC.CCC1CC(CNCc2noc(C(N)=O)n2)C1
InChIInChI=1S/C11H18N4O2.2C2H6/c1-2-7-3-8(4-7)5-13-6-9-14-11(10(12)16)17-15-9;2*1-2/h7-8,13H,2-6H2,1H3,(H2,12,16);2*1-2H3
InChIKeyDXJLPSSVNSWGRX-UHFFFAOYSA-N
XLogP2.75
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.75
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)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of ethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 164877100) is ethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for ethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for ethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is CC.CC.CCC1CC(CNCc2noc(C(N)=O)n2)C1.
What is the InChIKey of ethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DXJLPSSVNSWGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.2C2H6/c1-2-7-3-8(4-7)5-13-6-9-14-11(10(12)16)17-15-9;2*1-2/h7-8,13H,2-6H2,1H3,(H2,12,16);2*1-2H3.
What are the key properties of ethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
ethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[[(3-ethylcyclobutyl)methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 164877100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).