5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride

C12H14ClN3O3 — CID 68916606

IUPAC5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1noc2cc(N3CC(CN)OC3=O)ccc12.Cl
InChIInChI=1S/C12H13N3O3.ClH/c1-7-10-3-2-8(4-11(10)18-14-7)15-6-9(5-13)17-12(15)16;/h2-4,9H,5-6,13H2,1H3;1H
InChIKeyASTSDJUYBMLMCI-UHFFFAOYSA-N
MW283.72 g/mol
LogP1.84
Rot. Bonds2

About 5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride

5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 68916606) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID68916606
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC Name5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1noc2cc(N3CC(CN)OC3=O)ccc12.Cl
InChIInChI=1S/C12H13N3O3.ClH/c1-7-10-3-2-8(4-11(10)18-14-7)15-6-9(5-13)17-12(15)16;/h2-4,9H,5-6,13H2,1H3;1H
InChIKeyASTSDJUYBMLMCI-UHFFFAOYSA-N
XLogP1.84
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride (CID 68916606) is 5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride is Cc1noc2cc(N3CC(CN)OC3=O)ccc12.Cl.
What is the InChIKey of 5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is ASTSDJUYBMLMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3.ClH/c1-7-10-3-2-8(4-11(10)18-14-7)15-6-9(5-13)17-12(15)16;/h2-4,9H,5-6,13H2,1H3;1H.
What are the key properties of 5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride?
5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 283.72 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 68916606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).