5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one

C13H17BrN2O2 — CID 115065199

IUPAC5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCN)CN(Cc2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C13H17BrN2O2/c1-13(6-7-15)9-16(12(17)18-13)8-10-2-4-11(14)5-3-10/h2-5H,6-9,15H2,1H3
InChIKeyLEVXNGUSYKNLML-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.51
Rot. Bonds4

About 5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one

5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 115065199) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID115065199
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCN)CN(Cc2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C13H17BrN2O2/c1-13(6-7-15)9-16(12(17)18-13)8-10-2-4-11(14)5-3-10/h2-5H,6-9,15H2,1H3
InChIKeyLEVXNGUSYKNLML-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115065239
5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115064763
5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 115064757
6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
CID 115068104
5-(3-aminopropyl)-3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-2-one
CID 115065235
3-[2-(4-bromophenyl)ethyl]-5-[[(2S)-2-methyloxiran-2-yl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 87189305
3-[(4-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065041
4-[(4-bromophenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100592
1-[(4-bromophenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 54970796
4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060239
3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067366
5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 115065232

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (CID 115065199) is 5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is CC1(CCN)CN(Cc2ccc(Br)cc2)C(=O)O1.
What is the InChIKey of 5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is LEVXNGUSYKNLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-13(6-7-15)9-16(12(17)18-13)8-10-2-4-11(14)5-3-10/h2-5H,6-9,15H2,1H3.
What are the key properties of 5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 313.19 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).