5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one

C14H20N2O2 — CID 115065215

IUPAC5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccccc1N1CC(C)(CCCN)OC1=O
InChIInChI=1S/C14H20N2O2/c1-11-6-3-4-7-12(11)16-10-14(2,8-5-9-15)18-13(16)17/h3-4,6-7H,5,8-10,15H2,1-2H3
InChIKeyGOOYXTDVCXTEAR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.45
Rot. Bonds4

About 5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one

5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 115065215) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID115065215
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccccc1N1CC(C)(CCCN)OC1=O
InChIInChI=1S/C14H20N2O2/c1-11-6-3-4-7-12(11)16-10-14(2,8-5-9-15)18-13(16)17/h3-4,6-7H,5,8-10,15H2,1-2H3
InChIKeyGOOYXTDVCXTEAR-UHFFFAOYSA-N
XLogP2.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 115065232
3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064794
4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115064459
6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
CID 115068137
5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one
CID 115065235
5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115065239
3-(2-methylphenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid
CID 59455391
5-(3-aminopropyl)-3-cyclohexyl-5-methyl-1,3-oxazolidin-2-one
CID 115065205
5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
CID 115064715
5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one
CID 117002319
6-(aminomethyl)-3-(2-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009994
3,3-dimethyl-1-(2-methylphenyl)-1,4-diazepane-2,5-dione
CID 64959301

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one (CID 115065215) is 5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one is Cc1ccccc1N1CC(C)(CCCN)OC1=O.
What is the InChIKey of 5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is GOOYXTDVCXTEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-6-3-4-7-12(11)16-10-14(2,8-5-9-15)18-13(16)17/h3-4,6-7H,5,8-10,15H2,1-2H3.
What are the key properties of 5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one?
5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).