3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide

C12H23BrN2O3 — CID 3040571

IUPAC3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CC(C)CN1CC(CN2CCOCC2)OC1=O
InChIInChI=1S/C12H22N2O3.BrH/c1-10(2)7-14-9-11(17-12(14)15)8-13-3-5-16-6-4-13;/h10-11H,3-9H2,1-2H3;1H
InChIKeySGPKJDYUHBPKLY-UHFFFAOYSA-N
MW323.23 g/mol
LogP1.37
Rot. Bonds4

About 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide

3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide (PubChem CID 3040571) has the molecular formula C12H23BrN2O3 and a molecular weight of 323.23 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide
PubChem CID3040571
Molecular FormulaC12H23BrN2O3
Molecular Weight323.23 g/mol
Exact Mass322.09
IUPAC Name3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CC(C)CN1CC(CN2CCOCC2)OC1=O
InChIInChI=1S/C12H22N2O3.BrH/c1-10(2)7-14-9-11(17-12(14)15)8-13-3-5-16-6-4-13;/h10-11H,3-9H2,1-2H3;1H
InChIKeySGPKJDYUHBPKLY-UHFFFAOYSA-N
XLogP1.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Oxazolidinone, 5-(1-piperidinylmethyl)-3-propyl-, monohydrobromide
CID 3040557
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
3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one
CID 95238534
5-(Piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one
CID 3040558
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
Ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate
CID 14885015

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide?
The IUPAC name of 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide (CID 3040571) is 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide.
What is the SMILES notation for 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide?
The canonical SMILES for 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide is Br.CC(C)CN1CC(CN2CCOCC2)OC1=O.
What is the InChIKey of 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide?
The InChIKey is SGPKJDYUHBPKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.BrH/c1-10(2)7-14-9-11(17-12(14)15)8-13-3-5-16-6-4-13;/h10-11H,3-9H2,1-2H3;1H.
What are the key properties of 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide?
3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide has a molecular weight of 323.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrobromide is sourced from PubChem (CID 3040571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).