4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole

C17H20N2O2 — CID 56672741

IUPAC4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole
SMILESCCOc1cccc(-c2nc(CN3CC=CCC3)co2)c1
InChIInChI=1S/C17H20N2O2/c1-2-20-16-8-6-7-14(11-16)17-18-15(13-21-17)12-19-9-4-3-5-10-19/h3-4,6-8,11,13H,2,5,9-10,12H2,1H3
InChIKeyRVKGUUHRRZHMEX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.50
Rot. Bonds5

About 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole

4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole (PubChem CID 56672741) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole
PubChem CID56672741
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole
SMILESCCOc1cccc(-c2nc(CN3CC=CCC3)co2)c1
InChIInChI=1S/C17H20N2O2/c1-2-20-16-8-6-7-14(11-16)17-18-15(13-21-17)12-19-9-4-3-5-10-19/h3-4,6-8,11,13H,2,5,9-10,12H2,1H3
InChIKeyRVKGUUHRRZHMEX-UHFFFAOYSA-N
XLogP3.50
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole (CID 56672741) is 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole is CCOc1cccc(-c2nc(CN3CC=CCC3)co2)c1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole?
The InChIKey is RVKGUUHRRZHMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-20-16-8-6-7-14(11-16)17-18-15(13-21-17)12-19-9-4-3-5-10-19/h3-4,6-8,11,13H,2,5,9-10,12H2,1H3.
What are the key properties of 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole?
4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole has a molecular weight of 284.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-ethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56672741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).