4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine

C15H16N3O2- — CID 139049808

IUPAC4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine
SMILESCC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-]
InChIInChI=1S/C15H16N3O2/c1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13/h3-10H,11H2,1-2H3/q-1
InChIKeyVRAWAVGPKRHFAE-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.29
Rot. Bonds2

About 4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine

4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine (PubChem CID 139049808) has the molecular formula C15H16N3O2- and a molecular weight of 270.31 g/mol. Its IUPAC name is 4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine
PubChem CID139049808
Molecular FormulaC15H16N3O2-
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine
SMILESCC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-]
InChIInChI=1S/C15H16N3O2/c1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13/h3-10H,11H2,1-2H3/q-1
InChIKeyVRAWAVGPKRHFAE-UHFFFAOYSA-N
XLogP2.29
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine?
The IUPAC name of 4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine (CID 139049808) is 4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine.
What is the SMILES notation for 4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine?
The canonical SMILES for 4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine is CC1(C)COC(c2ccccn2)(c2ccccn2)N1[O-].
What is the InChIKey of 4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine?
The InChIKey is VRAWAVGPKRHFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N3O2/c1-14(2)11-20-15(18(14)19,12-7-3-5-9-16-12)13-8-4-6-10-17-13/h3-10H,11H2,1-2H3/q-1.
What are the key properties of 4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine?
4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine has a molecular weight of 270.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-oxido-2,2-dipyridin-2-yl-1,3-oxazolidine is sourced from PubChem (CID 139049808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).