3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one

C16H32N2O2 — CID 86160491

IUPAC3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one
SMILESCCCCN(CCCC)CC1CN(CCCC)C(=O)O1
InChIInChI=1S/C16H32N2O2/c1-4-7-10-17(11-8-5-2)13-15-14-18(12-9-6-3)16(19)20-15/h15H,4-14H2,1-3H3
InChIKeyNWVMOGIDAFDHCW-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.51
Rot. Bonds11

About 3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one

3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one (PubChem CID 86160491) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one
PubChem CID86160491
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one
SMILESCCCCN(CCCC)CC1CN(CCCC)C(=O)O1
InChIInChI=1S/C16H32N2O2/c1-4-7-10-17(11-8-5-2)13-15-14-18(12-9-6-3)16(19)20-15/h15H,4-14H2,1-3H3
InChIKeyNWVMOGIDAFDHCW-UHFFFAOYSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
CID 112594228
5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
CID 115944261
(5S)-5-[[methyl(2-methylpropyl)amino]methyl]-3-(4-methylpentyl)-1,3-oxazolidin-2-one
CID 138727162
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]heptane-1-sulfonamide
CID 165365481
5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3040566
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
CID 159534720
5-(chloromethyl)-3-dodecyl-1,3-oxazolidin-2-one;1-dodecylpyrrolidin-2-one
CID 159459303
(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one
CID 101240736
5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one
CID 2793780
6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one
CID 117010734
3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one
CID 122432040
5-(bromomethyl)-3-(3,3,3-trifluoropropyl)-1,3-oxazolidin-2-one
CID 82378835

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one (CID 86160491) is 3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one is CCCCN(CCCC)CC1CN(CCCC)C(=O)O1.
What is the InChIKey of 3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one?
The InChIKey is NWVMOGIDAFDHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-7-10-17(11-8-5-2)13-15-14-18(12-9-6-3)16(19)20-15/h15H,4-14H2,1-3H3.
What are the key properties of 3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one?
3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one has a molecular weight of 284.44 g/mol, XLogP of 3.51, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[(dibutylamino)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86160491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).