3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one

C12H20N2O2 — CID 19987408

IUPAC3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1CC1=CCCN(C)C1
InChIInChI=1S/C12H20N2O2/c1-3-14-11(9-16-12(14)15)7-10-5-4-6-13(2)8-10/h5,11H,3-4,6-9H2,1-2H3
InChIKeyVKVJPBRKSKAJER-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.48
Rot. Bonds3

About 3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one

3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 19987408) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID19987408
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1CC1=CCCN(C)C1
InChIInChI=1S/C12H20N2O2/c1-3-14-11(9-16-12(14)15)7-10-5-4-6-13(2)8-10/h5,11H,3-4,6-9H2,1-2H3
InChIKeyVKVJPBRKSKAJER-UHFFFAOYSA-N
XLogP1.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one (CID 19987408) is 3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one is CCN1C(=O)OCC1CC1=CCCN(C)C1.
What is the InChIKey of 3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is VKVJPBRKSKAJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-14-11(9-16-12(14)15)7-10-5-4-6-13(2)8-10/h5,11H,3-4,6-9H2,1-2H3.
What are the key properties of 3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one?
3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 19987408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).