5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one

C11H15N3O2 — CID 112594217

IUPAC5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(CN2CC(CN)OC2=O)n1
InChIInChI=1S/C11H15N3O2/c1-8-3-2-4-9(13-8)6-14-7-10(5-12)16-11(14)15/h2-4,10H,5-7,12H2,1H3
InChIKeyHBKJZXCKWXIRKX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.67
Rot. Bonds3

About 5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 112594217) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one
PubChem CID112594217
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cccc(CN2CC(CN)OC2=O)n1
InChIInChI=1S/C11H15N3O2/c1-8-3-2-4-9(13-8)6-14-7-10(5-12)16-11(14)15/h2-4,10H,5-7,12H2,1H3
InChIKeyHBKJZXCKWXIRKX-UHFFFAOYSA-N
XLogP0.67
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one (CID 112594217) is 5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one is Cc1cccc(CN2CC(CN)OC2=O)n1.
What is the InChIKey of 5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is HBKJZXCKWXIRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-3-2-4-9(13-8)6-14-7-10(5-12)16-11(14)15/h2-4,10H,5-7,12H2,1H3.
What are the key properties of 5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 112594217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).