5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C22H22N2O — CID 67606563

IUPAC5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESC(CCN1CCc2oncc2C1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-3-8-18(9-4-1)21(19-10-5-2-6-11-19)12-7-14-24-15-13-22-20(17-24)16-23-25-22/h1-6,8-12,16H,7,13-15,17H2
InChIKeyHHTFQGWOVKCQBM-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.55
Rot. Bonds5

About 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 67606563) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID67606563
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESC(CCN1CCc2oncc2C1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-3-8-18(9-4-1)21(19-10-5-2-6-11-19)12-7-14-24-15-13-22-20(17-24)16-23-25-22/h1-6,8-12,16H,7,13-15,17H2
InChIKeyHHTFQGWOVKCQBM-UHFFFAOYSA-N
XLogP4.55
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine 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-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 67606563) is 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is C(CCN1CCc2oncc2C1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is HHTFQGWOVKCQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-3-8-18(9-4-1)21(19-10-5-2-6-11-19)12-7-14-24-15-13-22-20(17-24)16-23-25-22/h1-6,8-12,16H,7,13-15,17H2.
What are the key properties of 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 330.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 67606563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).