3-methyl-2-pyridin-4-yl-1,3-oxazolidine

C9H12N2O — CID 3031481

IUPAC3-methyl-2-pyridin-4-yl-1,3-oxazolidine
SMILESCN1CCOC1c1ccncc1
InChIInChI=1S/C9H12N2O/c1-11-6-7-12-9(11)8-2-4-10-5-3-8/h2-5,9H,6-7H2,1H3
InChIKeyCGNCQJWDILDMPF-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.04
Rot. Bonds1

About 3-methyl-2-pyridin-4-yl-1,3-oxazolidine

3-methyl-2-pyridin-4-yl-1,3-oxazolidine (PubChem CID 3031481) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-methyl-2-pyridin-4-yl-1,3-oxazolidine.

Molecular Properties

Compound Name3-methyl-2-pyridin-4-yl-1,3-oxazolidine
PubChem CID3031481
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-methyl-2-pyridin-4-yl-1,3-oxazolidine
SMILESCN1CCOC1c1ccncc1
InChIInChI=1S/C9H12N2O/c1-11-6-7-12-9(11)8-2-4-10-5-3-8/h2-5,9H,6-7H2,1H3
InChIKeyCGNCQJWDILDMPF-UHFFFAOYSA-N
XLogP1.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyridin-4-yl-1,3-oxazolidine?
The IUPAC name of 3-methyl-2-pyridin-4-yl-1,3-oxazolidine (CID 3031481) is 3-methyl-2-pyridin-4-yl-1,3-oxazolidine.
What is the SMILES notation for 3-methyl-2-pyridin-4-yl-1,3-oxazolidine?
The canonical SMILES for 3-methyl-2-pyridin-4-yl-1,3-oxazolidine is CN1CCOC1c1ccncc1.
What is the InChIKey of 3-methyl-2-pyridin-4-yl-1,3-oxazolidine?
The InChIKey is CGNCQJWDILDMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-6-7-12-9(11)8-2-4-10-5-3-8/h2-5,9H,6-7H2,1H3.
What are the key properties of 3-methyl-2-pyridin-4-yl-1,3-oxazolidine?
3-methyl-2-pyridin-4-yl-1,3-oxazolidine has a molecular weight of 164.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyridin-4-yl-1,3-oxazolidine is sourced from PubChem (CID 3031481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).