5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one

C13H16N2O3 — CID 59742701

IUPAC5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C(=O)CN2CC(CN)OC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-9-2-4-10(5-3-9)12(16)8-15-7-11(6-14)18-13(15)17/h2-5,11H,6-8,14H2,1H3
InChIKeyGEBKTNAFRYCJNO-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.96
Rot. Bonds4

About 5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 59742701) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID59742701
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(C(=O)CN2CC(CN)OC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-9-2-4-10(5-3-9)12(16)8-15-7-11(6-14)18-13(15)17/h2-5,11H,6-8,14H2,1H3
InChIKeyGEBKTNAFRYCJNO-UHFFFAOYSA-N
XLogP0.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one (CID 59742701) is 5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one is Cc1ccc(C(=O)CN2CC(CN)OC2=O)cc1.
What is the InChIKey of 5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is GEBKTNAFRYCJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-2-4-10(5-3-9)12(16)8-15-7-11(6-14)18-13(15)17/h2-5,11H,6-8,14H2,1H3.
What are the key properties of 5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 248.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59742701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).