3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one

C17H19N3O2 — CID 84600672

IUPAC3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1ncccc1CNCc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C17H19N3O2/c1-13-15(3-2-8-19-13)12-18-11-14-4-6-16(7-5-14)20-9-10-22-17(20)21/h2-8,18H,9-12H2,1H3
InChIKeyAPSPUQBZMMEQRM-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.64
Rot. Bonds5

About 3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 84600672) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID84600672
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1ncccc1CNCc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C17H19N3O2/c1-13-15(3-2-8-19-13)12-18-11-14-4-6-16(7-5-14)20-9-10-22-17(20)21/h2-8,18H,9-12H2,1H3
InChIKeyAPSPUQBZMMEQRM-UHFFFAOYSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one (CID 84600672) is 3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one is Cc1ncccc1CNCc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is APSPUQBZMMEQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-15(3-2-8-19-13)12-18-11-14-4-6-16(7-5-14)20-9-10-22-17(20)21/h2-8,18H,9-12H2,1H3.
What are the key properties of 3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 84600672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).