2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole

C19H17ClN2O — CID 22100964

IUPAC2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole
SMILESClc1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1
InChIInChI=1S/C19H17ClN2O/c20-16-6-7-18-17(12-16)21-19(23-18)15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-8,12H,9-11,13H2
InChIKeyLFYYNWGHAXPDIP-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.77
Rot. Bonds3

About 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole (PubChem CID 22100964) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole
PubChem CID22100964
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole
SMILESClc1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1
InChIInChI=1S/C19H17ClN2O/c20-16-6-7-18-17(12-16)21-19(23-18)15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-8,12H,9-11,13H2
InChIKeyLFYYNWGHAXPDIP-UHFFFAOYSA-N
XLogP4.77
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole 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 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole?
The IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole (CID 22100964) is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole.
What is the SMILES notation for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole?
The canonical SMILES for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole is Clc1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1.
What is the InChIKey of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole?
The InChIKey is LFYYNWGHAXPDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-16-6-7-18-17(12-16)21-19(23-18)15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-8,12H,9-11,13H2.
What are the key properties of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole?
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole has a molecular weight of 324.81 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole is sourced from PubChem (CID 22100964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).