3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one

C10H20N2O2 — CID 106800266

IUPAC3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one
SMILESCCC(CCCN1CCOC1=O)NC
InChIInChI=1S/C10H20N2O2/c1-3-9(11-2)5-4-6-12-7-8-14-10(12)13/h9,11H,3-8H2,1-2H3
InChIKeyZYAAXGJQCGEBFI-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds6

About 3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one

3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one (PubChem CID 106800266) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one
PubChem CID106800266
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one
SMILESCCC(CCCN1CCOC1=O)NC
InChIInChI=1S/C10H20N2O2/c1-3-9(11-2)5-4-6-12-7-8-14-10(12)13/h9,11H,3-8H2,1-2H3
InChIKeyZYAAXGJQCGEBFI-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one (CID 106800266) is 3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one is CCC(CCCN1CCOC1=O)NC.
What is the InChIKey of 3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one?
The InChIKey is ZYAAXGJQCGEBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-9(11-2)5-4-6-12-7-8-14-10(12)13/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one?
3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one has a molecular weight of 200.28 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 106800266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).