2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine

C15H14N2O3 — CID 82337852

IUPAC2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2nc3cc(C)cnc3o2)cc1OC
InChIInChI=1S/C15H14N2O3/c1-9-6-11-15(16-8-9)20-14(17-11)10-4-5-12(18-2)13(7-10)19-3/h4-8H,1-3H3
InChIKeySHSYQWZHVGQETQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.22
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine

2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337852) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337852
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2nc3cc(C)cnc3o2)cc1OC
InChIInChI=1S/C15H14N2O3/c1-9-6-11-15(16-8-9)20-14(17-11)10-4-5-12(18-2)13(7-10)19-3/h4-8H,1-3H3
InChIKeySHSYQWZHVGQETQ-UHFFFAOYSA-N
XLogP3.22
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337691
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337689
2-(3,4-dimethoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 56772452
2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
CID 25034610
2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676797
methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate
CID 139779387
2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 82337469
[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 82357784
[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156819
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine (CID 82337852) is 2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine is COc1ccc(-c2nc3cc(C)cnc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is SHSYQWZHVGQETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-6-11-15(16-8-9)20-14(17-11)10-4-5-12(18-2)13(7-10)19-3/h4-8H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine?
2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 270.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).