N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

C13H20N4O3 — CID 91792866

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCCc1nccn1CCCNC(=O)CN1CCOC1=O
InChIInChI=1S/C13H20N4O3/c1-2-11-14-5-7-16(11)6-3-4-15-12(18)10-17-8-9-20-13(17)19/h5,7H,2-4,6,8-10H2,1H3,(H,15,18)
InChIKeyXHZRWMDUXZUQGO-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.40
Rot. Bonds7

About N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (PubChem CID 91792866) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
PubChem CID91792866
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESCCc1nccn1CCCNC(=O)CN1CCOC1=O
InChIInChI=1S/C13H20N4O3/c1-2-11-14-5-7-16(11)6-3-4-15-12(18)10-17-8-9-20-13(17)19/h5,7H,2-4,6,8-10H2,1H3,(H,15,18)
InChIKeyXHZRWMDUXZUQGO-UHFFFAOYSA-N
XLogP0.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (CID 91792866) is N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is CCc1nccn1CCCNC(=O)CN1CCOC1=O.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is XHZRWMDUXZUQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-11-14-5-7-16(11)6-3-4-15-12(18)10-17-8-9-20-13(17)19/h5,7H,2-4,6,8-10H2,1H3,(H,15,18).
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 91792866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).