3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole

C21H16ClN3O2 — CID 175811539

IUPAC3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole
SMILESClc1cccc(COc2ccc(Cc3cc(-c4cccnc4)on3)cn2)c1
InChIInChI=1S/C21H16ClN3O2/c22-18-5-1-3-16(9-18)14-26-21-7-6-15(12-24-21)10-19-11-20(27-25-19)17-4-2-8-23-13-17/h1-9,11-13H,10,14H2
InChIKeyIWFJTUWCLVFIQQ-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.95
Rot. Bonds6

About 3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole

3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole (PubChem CID 175811539) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole
PubChem CID175811539
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole
SMILESClc1cccc(COc2ccc(Cc3cc(-c4cccnc4)on3)cn2)c1
InChIInChI=1S/C21H16ClN3O2/c22-18-5-1-3-16(9-18)14-26-21-7-6-15(12-24-21)10-19-11-20(27-25-19)17-4-2-8-23-13-17/h1-9,11-13H,10,14H2
InChIKeyIWFJTUWCLVFIQQ-UHFFFAOYSA-N
XLogP4.95
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-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 3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole (CID 175811539) is 3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole is Clc1cccc(COc2ccc(Cc3cc(-c4cccnc4)on3)cn2)c1.
What is the InChIKey of 3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole?
The InChIKey is IWFJTUWCLVFIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-18-5-1-3-16(9-18)14-26-21-7-6-15(12-24-21)10-19-11-20(27-25-19)17-4-2-8-23-13-17/h1-9,11-13H,10,14H2.
What are the key properties of 3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole?
3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole has a molecular weight of 377.83 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 175811539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).