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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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).