5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one

C16H32N2O2 — CID 3040568

IUPAC5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(C)N1CC(CN(CC(C)C)CC(C)C)OC1=O
InChIInChI=1S/C16H32N2O2/c1-7-14(6)18-11-15(20-16(18)19)10-17(8-12(2)3)9-13(4)5/h12-15H,7-11H2,1-6H3
InChIKeyODOKATONQCCCPL-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.22
Rot. Bonds8

About 5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one

5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one (PubChem CID 3040568) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one
PubChem CID3040568
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(C)N1CC(CN(CC(C)C)CC(C)C)OC1=O
InChIInChI=1S/C16H32N2O2/c1-7-14(6)18-11-15(20-16(18)19)10-17(8-12(2)3)9-13(4)5/h12-15H,7-11H2,1-6H3
InChIKeyODOKATONQCCCPL-UHFFFAOYSA-N
XLogP3.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trimethyl-[[(5R)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545096
trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545329
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-propyl-, monohydrobromide
CID 3040561
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-butyl-, monohydrobromide
CID 3040563
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-(2-methylpropyl)-, monohydrobromide
CID 3040565
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-(1-methylpropyl)-, monohydrobromide
CID 3040567
5-(Aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 55268663
5-[[Bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one
CID 3040562
5-[[Bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one
CID 3040564
5-[[Bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3040566
3-(2-Methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
CID 3040572
Oxazolidine, N-(t-butoxycarbonyl)-2,2,4,5-tetramethyl-
CID 594027

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one (CID 3040568) is 5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one is CCC(C)N1CC(CN(CC(C)C)CC(C)C)OC1=O.
What is the InChIKey of 5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ODOKATONQCCCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-14(6)18-11-15(20-16(18)19)10-17(8-12(2)3)9-13(4)5/h12-15H,7-11H2,1-6H3.
What are the key properties of 5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one?
5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 284.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3040568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).