3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine

C18H36N2O2 — CID 121424027

IUPAC3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine
SMILESCCCCN1CCOC1CCCC1(C)OCCN1CCCC
InChIInChI=1S/C18H36N2O2/c1-4-6-11-19-13-15-21-17(19)9-8-10-18(3)20(12-7-5-2)14-16-22-18/h17H,4-16H2,1-3H3
InChIKeyZAFSYPSIHJEEMG-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.46
Rot. Bonds10

About 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine

3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine (PubChem CID 121424027) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine
PubChem CID121424027
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine
SMILESCCCCN1CCOC1CCCC1(C)OCCN1CCCC
InChIInChI=1S/C18H36N2O2/c1-4-6-11-19-13-15-21-17(19)9-8-10-18(3)20(12-7-5-2)14-16-22-18/h17H,4-16H2,1-3H3
InChIKeyZAFSYPSIHJEEMG-UHFFFAOYSA-N
XLogP3.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine?
The IUPAC name of 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine (CID 121424027) is 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine.
What is the SMILES notation for 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine?
The canonical SMILES for 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine is CCCCN1CCOC1CCCC1(C)OCCN1CCCC.
What is the InChIKey of 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine?
The InChIKey is ZAFSYPSIHJEEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-4-6-11-19-13-15-21-17(19)9-8-10-18(3)20(12-7-5-2)14-16-22-18/h17H,4-16H2,1-3H3.
What are the key properties of 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine?
3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine has a molecular weight of 312.50 g/mol, XLogP of 3.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine is sourced from PubChem (CID 121424027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).