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

C15H26N2O2 — CID 160550782

IUPACN-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1cc(CC)on1
InChIInChI=1S/C15H26N2O2/c1-5-7-8-9-15(3,4)11-16-14(18)13-10-12(6-2)19-17-13/h10H,5-9,11H2,1-4H3,(H,16,18)
InChIKeyWJWQWRVAFFDEMV-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.57
Rot. Bonds8

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

N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 160550782) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
PubChem CID160550782
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1cc(CC)on1
InChIInChI=1S/C15H26N2O2/c1-5-7-8-9-15(3,4)11-16-14(18)13-10-12(6-2)19-17-13/h10H,5-9,11H2,1-4H3,(H,16,18)
InChIKeyWJWQWRVAFFDEMV-UHFFFAOYSA-N
XLogP3.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.57
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-pentyl-1,2-oxazole-3-carboxamide
CID 160831155
N-(3,3-dimethyloctan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 158921708
N-(5-bromo-2,2-dimethylpentyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114149721
5-ethyl-N-(3-ethyl-3-methyloctan-2-yl)-1,2-oxazole-3-carboxamide
CID 162165201
N-(3-amino-2,2-dimethylpropyl)-5-(iodomethyl)-1,2-oxazole-3-carboxamide
CID 135137386
N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 106143121
N-(3-bromo-2,2-dimethylpropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 115364910
N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698819
N-(2,2-dimethylheptyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103747347
3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 110836534
bis(N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide);N-[3-(butylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-(butylaminomethyl)-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-1,2-oxazole-3-carboxamide;N-[2-[(dimethylamino)methyl]-2-methylbutyl]-5-ethyl-1,2-oxazole-3-carboxamide
CID 158559615
N-(2,2-dimethylheptyl)-4-sulfanylthiophene-2-carboxamide
CID 107032718

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide (CID 160550782) is N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide is CCCCCC(C)(C)CNC(=O)c1cc(CC)on1.
What is the InChIKey of N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is WJWQWRVAFFDEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-7-8-9-15(3,4)11-16-14(18)13-10-12(6-2)19-17-13/h10H,5-9,11H2,1-4H3,(H,16,18).
What are the key properties of N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide?
N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylheptyl)-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160550782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).