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

C10H12N2O2 — CID 28740412

IUPAC3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one
SMILESNCc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C10H12N2O2/c11-7-8-2-1-3-9(6-8)12-4-5-14-10(12)13/h1-3,6H,4-5,7,11H2
InChIKeyCSHIRRDTCOQWTI-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.10
Rot. Bonds2

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

3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 28740412) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID28740412
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one
SMILESNCc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C10H12N2O2/c11-7-8-2-1-3-9(6-8)12-4-5-14-10(12)13/h1-3,6H,4-5,7,11H2
InChIKeyCSHIRRDTCOQWTI-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
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]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one (CID 28740412) is 3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one is NCc1cccc(N2CCOC2=O)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CSHIRRDTCOQWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-7-8-2-1-3-9(6-8)12-4-5-14-10(12)13/h1-3,6H,4-5,7,11H2.
What are the key properties of 3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one?
3-[3-(aminomethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.10, 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]-1,3-oxazolidin-2-one is sourced from PubChem (CID 28740412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).