5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole

C17H22N2O — CID 59022454

IUPAC5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(c2ccc(C3=CCN(C)CC3)cc2)=NO1
InChIInChI=1S/C17H22N2O/c1-3-16-12-17(18-20-16)15-6-4-13(5-7-15)14-8-10-19(2)11-9-14/h4-8,16H,3,9-12H2,1-2H3
InChIKeySCXSPWZWTFCHIO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.31
Rot. Bonds3

About 5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole

5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 59022454) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID59022454
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCCC1CC(c2ccc(C3=CCN(C)CC3)cc2)=NO1
InChIInChI=1S/C17H22N2O/c1-3-16-12-17(18-20-16)15-6-4-13(5-7-15)14-8-10-19(2)11-9-14/h4-8,16H,3,9-12H2,1-2H3
InChIKeySCXSPWZWTFCHIO-UHFFFAOYSA-N
XLogP3.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole (CID 59022454) is 5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole is CCC1CC(c2ccc(C3=CCN(C)CC3)cc2)=NO1.
What is the InChIKey of 5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is SCXSPWZWTFCHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-16-12-17(18-20-16)15-6-4-13(5-7-15)14-8-10-19(2)11-9-14/h4-8,16H,3,9-12H2,1-2H3.
What are the key properties of 5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole?
5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 270.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59022454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).