2-pentyl-3-pyridin-2-yl-1,2-oxazolidine

C13H20N2O — CID 70001193

IUPAC2-pentyl-3-pyridin-2-yl-1,2-oxazolidine
SMILESCCCCCN1OCCC1c1ccccn1
InChIInChI=1S/C13H20N2O/c1-2-3-6-10-15-13(8-11-16-15)12-7-4-5-9-14-12/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3
InChIKeyIJBOGSAMAAIXRJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.95
Rot. Bonds5

About 2-pentyl-3-pyridin-2-yl-1,2-oxazolidine

2-pentyl-3-pyridin-2-yl-1,2-oxazolidine (PubChem CID 70001193) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-pentyl-3-pyridin-2-yl-1,2-oxazolidine.

Molecular Properties

Compound Name2-pentyl-3-pyridin-2-yl-1,2-oxazolidine
PubChem CID70001193
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-pentyl-3-pyridin-2-yl-1,2-oxazolidine
SMILESCCCCCN1OCCC1c1ccccn1
InChIInChI=1S/C13H20N2O/c1-2-3-6-10-15-13(8-11-16-15)12-7-4-5-9-14-12/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3
InChIKeyIJBOGSAMAAIXRJ-UHFFFAOYSA-N
XLogP2.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.95
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 2-pentyl-3-pyridin-2-yl-1,2-oxazolidine?
The IUPAC name of 2-pentyl-3-pyridin-2-yl-1,2-oxazolidine (CID 70001193) is 2-pentyl-3-pyridin-2-yl-1,2-oxazolidine.
What is the SMILES notation for 2-pentyl-3-pyridin-2-yl-1,2-oxazolidine?
The canonical SMILES for 2-pentyl-3-pyridin-2-yl-1,2-oxazolidine is CCCCCN1OCCC1c1ccccn1.
What is the InChIKey of 2-pentyl-3-pyridin-2-yl-1,2-oxazolidine?
The InChIKey is IJBOGSAMAAIXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-6-10-15-13(8-11-16-15)12-7-4-5-9-14-12/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3.
What are the key properties of 2-pentyl-3-pyridin-2-yl-1,2-oxazolidine?
2-pentyl-3-pyridin-2-yl-1,2-oxazolidine has a molecular weight of 220.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-3-pyridin-2-yl-1,2-oxazolidine is sourced from PubChem (CID 70001193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).