3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one

C11H14N2O2 — CID 105458801

IUPAC3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(c2cccc(CN)c2)C(=O)O1
InChIInChI=1S/C11H14N2O2/c1-8-7-13(11(14)15-8)10-4-2-3-9(5-10)6-12/h2-5,8H,6-7,12H2,1H3
InChIKeyGZGFXFOQMLZDSY-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.49
Rot. Bonds2

About 3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one

3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 105458801) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID105458801
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(c2cccc(CN)c2)C(=O)O1
InChIInChI=1S/C11H14N2O2/c1-8-7-13(11(14)15-8)10-4-2-3-9(5-10)6-12/h2-5,8H,6-7,12H2,1H3
InChIKeyGZGFXFOQMLZDSY-UHFFFAOYSA-N
XLogP1.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one (CID 105458801) is 3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one is CC1CN(c2cccc(CN)c2)C(=O)O1.
What is the InChIKey of 3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is GZGFXFOQMLZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-7-13(11(14)15-8)10-4-2-3-9(5-10)6-12/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 105458801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).