5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide

C17H30N2O2 — CID 162165201

IUPAC5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCCCC(C)(CC)C(C)NC(=O)c1cc(CC)on1
InChIInChI=1S/C17H30N2O2/c1-6-9-10-11-17(5,8-3)13(4)18-16(20)15-12-14(7-2)21-19-15/h12-13H,6-11H2,1-5H3,(H,18,20)
InChIKeyOUPSHZIIYSDMLW-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.35
Rot. Bonds9

About 5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide

5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 162165201) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID162165201
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCCCC(C)(CC)C(C)NC(=O)c1cc(CC)on1
InChIInChI=1S/C17H30N2O2/c1-6-9-10-11-17(5,8-3)13(4)18-16(20)15-12-14(7-2)21-19-15/h12-13H,6-11H2,1-5H3,(H,18,20)
InChIKeyOUPSHZIIYSDMLW-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 158921708
N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160550782
N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160653600
5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155
5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide
CID 160612046
5-ethyl-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 46246328
3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 110836534
N-[3,3-dimethyl-4-(methylamino)butan-2-yl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3,3-dimethyl-4-(methylamino)butan-2-yl]-5-ethyl-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-[ethyl(methyl)amino]-2,2-dimethylpropyl]-4-methyl-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-[ethyl(methyl)amino]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-ethyl-3-(methylaminomethyl)pentan-2-yl]-4-methyl-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-ethyl-3-(methylaminomethyl)pentan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-methyl-3-(methylaminomethyl)hexan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-methyl-3-(methylaminomethyl)pentan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-4-methyl-N-[3-methyl-3-(methylaminomethyl)hexan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-4-methyl-N-[3-methyl-3-(methylaminomethyl)pentan-2-yl]-1,2-oxazole-3-carboxamide
CID 158456902
N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698819
N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009127
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63575530
2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one
CID 83827043

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide (CID 162165201) is 5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide is CCCCCC(C)(CC)C(C)NC(=O)c1cc(CC)on1.
What is the InChIKey of 5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is OUPSHZIIYSDMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-9-10-11-17(5,8-3)13(4)18-16(20)15-12-14(7-2)21-19-15/h12-13H,6-11H2,1-5H3,(H,18,20).
What are the key properties of 5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide?
5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162165201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).