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

C9H12N2O — CID 90464528

IUPAC5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole
SMILESCC1=CC=C(C2=CNCO2)NC1
InChIInChI=1S/C9H12N2O/c1-7-2-3-8(11-4-7)9-5-10-6-12-9/h2-3,5,10-11H,4,6H2,1H3
InChIKeyISJUOXFDRVQBDY-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.84
Rot. Bonds1

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

5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole (PubChem CID 90464528) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole
PubChem CID90464528
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole
SMILESCC1=CC=C(C2=CNCO2)NC1
InChIInChI=1S/C9H12N2O/c1-7-2-3-8(11-4-7)9-5-10-6-12-9/h2-3,5,10-11H,4,6H2,1H3
InChIKeyISJUOXFDRVQBDY-UHFFFAOYSA-N
XLogP0.84
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole?
The IUPAC name of 5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole (CID 90464528) is 5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole is CC1=CC=C(C2=CNCO2)NC1.
What is the InChIKey of 5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole?
The InChIKey is ISJUOXFDRVQBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-2-3-8(11-4-7)9-5-10-6-12-9/h2-3,5,10-11H,4,6H2,1H3.
What are the key properties of 5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole?
5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole has a molecular weight of 164.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-dihydropyridin-6-yl)-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 90464528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).