3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole

C9H12N2O — CID 118729456

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole
SMILESCN1CCC=C(c2ccon2)C1
InChIInChI=1S/C9H12N2O/c1-11-5-2-3-8(7-11)9-4-6-12-10-9/h3-4,6H,2,5,7H2,1H3
InChIKeyURBUMUJCBDKJGD-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.39
Rot. Bonds1

About 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole (PubChem CID 118729456) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole
PubChem CID118729456
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole
SMILESCN1CCC=C(c2ccon2)C1
InChIInChI=1S/C9H12N2O/c1-11-5-2-3-8(7-11)9-4-6-12-10-9/h3-4,6H,2,5,7H2,1H3
InChIKeyURBUMUJCBDKJGD-UHFFFAOYSA-N
XLogP1.39
TPSA29.27 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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole (CID 118729456) is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole is CN1CCC=C(c2ccon2)C1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole?
The InChIKey is URBUMUJCBDKJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-5-2-3-8(7-11)9-4-6-12-10-9/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole?
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole has a molecular weight of 164.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole is sourced from PubChem (CID 118729456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).