2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole

C9H12N2O — CID 178031910

IUPAC2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole
SMILESCC1=CCN(c2ncco2)CC1
InChIInChI=1S/C9H12N2O/c1-8-2-5-11(6-3-8)9-10-4-7-12-9/h2,4,7H,3,5-6H2,1H3
InChIKeyHQWHPRMYBQJSFT-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.83
Rot. Bonds1

About 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole

2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole (PubChem CID 178031910) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole
PubChem CID178031910
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole
SMILESCC1=CCN(c2ncco2)CC1
InChIInChI=1S/C9H12N2O/c1-8-2-5-11(6-3-8)9-10-4-7-12-9/h2,4,7H,3,5-6H2,1H3
InChIKeyHQWHPRMYBQJSFT-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole?
The IUPAC name of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole (CID 178031910) is 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole.
What is the SMILES notation for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole?
The canonical SMILES for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole is CC1=CCN(c2ncco2)CC1.
What is the InChIKey of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole?
The InChIKey is HQWHPRMYBQJSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8-2-5-11(6-3-8)9-10-4-7-12-9/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole?
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole has a molecular weight of 164.21 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole is sourced from PubChem (CID 178031910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).