5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide

C15H31BrN2O2 — CID 3040561

IUPAC5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CCCN1CC(CN(CC(C)C)CC(C)C)OC1=O
InChIInChI=1S/C15H30N2O2.BrH/c1-6-7-17-11-14(19-15(17)18)10-16(8-12(2)3)9-13(4)5;/h12-14H,6-11H2,1-5H3;1H
InChIKeyBACOEHCKWXVCBF-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.41
Rot. Bonds8

About 5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide

5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide (PubChem CID 3040561) has the molecular formula C15H31BrN2O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide.

Molecular Properties

Compound Name5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide
PubChem CID3040561
Molecular FormulaC15H31BrN2O2
Molecular Weight351.33 g/mol
Exact Mass350.16
IUPAC Name5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CCCN1CC(CN(CC(C)C)CC(C)C)OC1=O
InChIInChI=1S/C15H30N2O2.BrH/c1-6-7-17-11-14(19-15(17)18)10-16(8-12(2)3)9-13(4)5;/h12-14H,6-11H2,1-5H3;1H
InChIKeyBACOEHCKWXVCBF-UHFFFAOYSA-N
XLogP3.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 58653718
(5R)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 72545094
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
US10214537, Example 162
CID 58799596
2-Oxazolidinone, 5-(1-piperidinylmethyl)-3-propyl-, monohydrobromide
CID 3040557
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
2-Oxazolidinone, 3-(2-methylpropyl)-5-(4-morpholinylmethyl)-, monohydrobromide
CID 3040571
2-Oxazolidinone, 3-(1-ethoxyethyl)-5-methyl-
CID 14474965
5-(Aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 55268663

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide?
The IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide (CID 3040561) is 5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide.
What is the SMILES notation for 5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide?
The canonical SMILES for 5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide is Br.CCCN1CC(CN(CC(C)C)CC(C)C)OC1=O.
What is the InChIKey of 5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide?
The InChIKey is BACOEHCKWXVCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.BrH/c1-6-7-17-11-14(19-15(17)18)10-16(8-12(2)3)9-13(4)5;/h12-14H,6-11H2,1-5H3;1H.
What are the key properties of 5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide?
5-[[bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one;hydrobromide has a molecular weight of 351.33 g/mol, XLogP of 3.41, 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-propyl-1,3-oxazolidin-2-one;hydrobromide is sourced from PubChem (CID 3040561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).