6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine

C15H13ClN2O4 — CID 25170267

IUPAC6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCOc1cc(OC)cc(Oc2nc(Cl)cc3onc(C)c23)c1
InChIInChI=1S/C15H13ClN2O4/c1-8-14-12(22-18-8)7-13(16)17-15(14)21-11-5-9(19-2)4-10(6-11)20-3/h4-7H,1-3H3
InChIKeyUGDWRAOUTJJRIM-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.99
Rot. Bonds4

About 6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine

6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 25170267) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine
PubChem CID25170267
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCOc1cc(OC)cc(Oc2nc(Cl)cc3onc(C)c23)c1
InChIInChI=1S/C15H13ClN2O4/c1-8-14-12(22-18-8)7-13(16)17-15(14)21-11-5-9(19-2)4-10(6-11)20-3/h4-7H,1-3H3
InChIKeyUGDWRAOUTJJRIM-UHFFFAOYSA-N
XLogP3.99
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[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 6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine (CID 25170267) is 6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine is COc1cc(OC)cc(Oc2nc(Cl)cc3onc(C)c23)c1.
What is the InChIKey of 6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is UGDWRAOUTJJRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-8-14-12(22-18-8)7-13(16)17-15(14)21-11-5-9(19-2)4-10(6-11)20-3/h4-7H,1-3H3.
What are the key properties of 6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine?
6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 320.73 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3,5-dimethoxyphenoxy)-3-methyl-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 25170267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).