3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine

C13H19N3O — CID 144612710

IUPAC3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine
SMILESCC1=CC=C(C2OC3=C(CNCC3)N2C)NC1
InChIInChI=1S/C13H19N3O/c1-9-3-4-10(15-7-9)13-16(2)11-8-14-6-5-12(11)17-13/h3-4,13-15H,5-8H2,1-2H3
InChIKeySMWAVFJRJMZZDJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.91
Rot. Bonds1

About 3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine

3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 144612710) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID144612710
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine
SMILESCC1=CC=C(C2OC3=C(CNCC3)N2C)NC1
InChIInChI=1S/C13H19N3O/c1-9-3-4-10(15-7-9)13-16(2)11-8-14-6-5-12(11)17-13/h3-4,13-15H,5-8H2,1-2H3
InChIKeySMWAVFJRJMZZDJ-UHFFFAOYSA-N
XLogP0.91
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine (CID 144612710) is 3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine is CC1=CC=C(C2OC3=C(CNCC3)N2C)NC1.
What is the InChIKey of 3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is SMWAVFJRJMZZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-4-10(15-7-9)13-16(2)11-8-14-6-5-12(11)17-13/h3-4,13-15H,5-8H2,1-2H3.
What are the key properties of 3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine?
3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 233.31 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 144612710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).