N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide

C21H30N2O2 — CID 54577605

IUPACN,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCN(CCCCC)C(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H30N2O2/c1-3-5-10-14-23(15-11-6-4-2)21(24)17-19-16-20(25-22-19)18-12-8-7-9-13-18/h7-9,12-13,16H,3-6,10-11,14-15,17H2,1-2H3
InChIKeyNEUFNGGUDGNSMD-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.09
Rot. Bonds11

About N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide

N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide (PubChem CID 54577605) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
PubChem CID54577605
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCN(CCCCC)C(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H30N2O2/c1-3-5-10-14-23(15-11-6-4-2)21(24)17-19-16-20(25-22-19)18-12-8-7-9-13-18/h7-9,12-13,16H,3-6,10-11,14-15,17H2,1-2H3
InChIKeyNEUFNGGUDGNSMD-UHFFFAOYSA-N
XLogP5.09
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.09
H-Bond Donors ≤ 50
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,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide (CID 54577605) is N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide is CCCCCN(CCCCC)C(=O)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is NEUFNGGUDGNSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-3-5-10-14-23(15-11-6-4-2)21(24)17-19-16-20(25-22-19)18-12-8-7-9-13-18/h7-9,12-13,16H,3-6,10-11,14-15,17H2,1-2H3.
What are the key properties of N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 342.48 g/mol, XLogP of 5.09, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentyl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 54577605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).