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

C10H12N2O2 — CID 15158297

IUPAC5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C10H12N2O2/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2
InChIKeyQQJDFBSOHQQLGC-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.97
Rot. Bonds2

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

5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 15158297) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one
PubChem CID15158297
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C10H12N2O2/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2
InChIKeyQQJDFBSOHQQLGC-UHFFFAOYSA-N
XLogP0.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one (CID 15158297) is 5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one is NCC1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is QQJDFBSOHQQLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2.
What are the key properties of 5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15158297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).