3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one

C12H16N2O2 — CID 82079805

IUPAC3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(C2CN(CCN)C(=O)O2)cc1
InChIInChI=1S/C12H16N2O2/c1-9-2-4-10(5-3-9)11-8-14(7-6-13)12(15)16-11/h2-5,11H,6-8,13H2,1H3
InChIKeyFGUWONRUNUGDKN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.45
Rot. Bonds3

About 3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one

3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 82079805) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID82079805
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(C2CN(CCN)C(=O)O2)cc1
InChIInChI=1S/C12H16N2O2/c1-9-2-4-10(5-3-9)11-8-14(7-6-13)12(15)16-11/h2-5,11H,6-8,13H2,1H3
InChIKeyFGUWONRUNUGDKN-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82084036
3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 82084550
3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 82077424
3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one
CID 101260868
3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 82088828
3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 82084411
3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 82147805
2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 82087088
5-(3-aminopropyl)-3-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060074
1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 116981435
N-[2-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)ethyl]butanamide
CID 110707104
5-(1,3-benzodioxol-5-yl)-3-(2-chloroethyl)-1,3-oxazolidin-2-one
CID 82092989

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one (CID 82079805) is 3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one is Cc1ccc(C2CN(CCN)C(=O)O2)cc1.
What is the InChIKey of 3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is FGUWONRUNUGDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-2-4-10(5-3-9)11-8-14(7-6-13)12(15)16-11/h2-5,11H,6-8,13H2,1H3.
What are the key properties of 3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one?
3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82079805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).