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

C16H28N2O2 — CID 158921708

IUPACN-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCCCCC(C)(C)C(C)NC(=O)c1cc(CC)on1
InChIInChI=1S/C16H28N2O2/c1-6-8-9-10-16(4,5)12(3)17-15(19)14-11-13(7-2)20-18-14/h11-12H,6-10H2,1-5H3,(H,17,19)
InChIKeyRSMBAQAFIPVCJK-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.96
Rot. Bonds8

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

N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 158921708) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
PubChem CID158921708
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCCCCC(C)(C)C(C)NC(=O)c1cc(CC)on1
InChIInChI=1S/C16H28N2O2/c1-6-8-9-10-16(4,5)12(3)17-15(19)14-11-13(7-2)20-18-14/h11-12H,6-10H2,1-5H3,(H,17,19)
InChIKeyRSMBAQAFIPVCJK-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.96
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

5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide
CID 162165201
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
N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160550782
5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155
5-ethyl-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 46246328
N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698819
3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 110836534
N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide
CID 126813963
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63575530
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
2-amino-1-(5-ethyl-1,2-oxazol-3-yl)propan-1-one
CID 83827043
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide (CID 158921708) is N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide is CCCCCC(C)(C)C(C)NC(=O)c1cc(CC)on1.
What is the InChIKey of N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is RSMBAQAFIPVCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-8-9-10-16(4,5)12(3)17-15(19)14-11-13(7-2)20-18-14/h11-12H,6-10H2,1-5H3,(H,17,19).
What are the key properties of N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158921708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).