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

C17H34N2O2 — CID 121424028

IUPAC3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine
SMILESCCCCN1CCOC1CCCC1OCCN1CCCC
InChIInChI=1S/C17H34N2O2/c1-3-5-10-18-12-14-20-16(18)8-7-9-17-19(11-6-4-2)13-15-21-17/h16-17H,3-15H2,1-2H3
InChIKeyVARUTYJKNSICKT-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.07
Rot. Bonds10

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

3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine (PubChem CID 121424028) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine.

Molecular Properties

Compound Name3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine
PubChem CID121424028
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine
SMILESCCCCN1CCOC1CCCC1OCCN1CCCC
InChIInChI=1S/C17H34N2O2/c1-3-5-10-18-12-14-20-16(18)8-7-9-17-19(11-6-4-2)13-15-21-17/h16-17H,3-15H2,1-2H3
InChIKeyVARUTYJKNSICKT-UHFFFAOYSA-N
XLogP3.07
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.07
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]-1,3-oxazolidine?
The IUPAC name of 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine (CID 121424028) is 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine.
What is the SMILES notation for 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine?
The canonical SMILES for 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine is CCCCN1CCOC1CCCC1OCCN1CCCC.
What is the InChIKey of 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine?
The InChIKey is VARUTYJKNSICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-3-5-10-18-12-14-20-16(18)8-7-9-17-19(11-6-4-2)13-15-21-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine?
3-butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine has a molecular weight of 298.47 g/mol, XLogP of 3.07, 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]-1,3-oxazolidine is sourced from PubChem (CID 121424028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).