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

C10H12N2O3 — CID 142988742

IUPAC3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one
SMILESCn1ccc(CN2CCOC2=O)cc1=O
InChIInChI=1S/C10H12N2O3/c1-11-3-2-8(6-9(11)13)7-12-4-5-15-10(12)14/h2-3,6H,4-5,7H2,1H3
InChIKeyBIGFCVJRDDMJLW-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.34
Rot. Bonds2

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

3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 142988742) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one
PubChem CID142988742
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one
SMILESCn1ccc(CN2CCOC2=O)cc1=O
InChIInChI=1S/C10H12N2O3/c1-11-3-2-8(6-9(11)13)7-12-4-5-15-10(12)14/h2-3,6H,4-5,7H2,1H3
InChIKeyBIGFCVJRDDMJLW-UHFFFAOYSA-N
XLogP0.34
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one (CID 142988742) is 3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one is Cn1ccc(CN2CCOC2=O)cc1=O.
What is the InChIKey of 3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is BIGFCVJRDDMJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-3-2-8(6-9(11)13)7-12-4-5-15-10(12)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one?
3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142988742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).