7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine

C19H16N2O3S — CID 134806311

IUPAC7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine
SMILESCOc1ccc(-c2cc(-c3cccs3)nc3c(C)noc23)cc1OC
InChIInChI=1S/C19H16N2O3S/c1-11-18-19(24-21-11)13(10-14(20-18)17-5-4-8-25-17)12-6-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3
InChIKeyVDGBMLJJDABUSP-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.94
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine

7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 134806311) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine
PubChem CID134806311
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine
SMILESCOc1ccc(-c2cc(-c3cccs3)nc3c(C)noc23)cc1OC
InChIInChI=1S/C19H16N2O3S/c1-11-18-19(24-21-11)13(10-14(20-18)17-5-4-8-25-17)12-6-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3
InChIKeyVDGBMLJJDABUSP-UHFFFAOYSA-N
XLogP4.94
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]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 7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine (CID 134806311) is 7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine is COc1ccc(-c2cc(-c3cccs3)nc3c(C)noc23)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is VDGBMLJJDABUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-11-18-19(24-21-11)13(10-14(20-18)17-5-4-8-25-17)12-6-7-15(22-2)16(9-12)23-3/h4-10H,1-3H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine?
7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 352.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 134806311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).