2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine

C14H13N3O3 — CID 82337469

IUPAC2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
SMILESCOc1ccc(-c2nc3ncc(N)cc3o2)cc1OC
InChIInChI=1S/C14H13N3O3/c1-18-10-4-3-8(5-11(10)19-2)14-17-13-12(20-14)6-9(15)7-16-13/h3-7H,15H2,1-2H3
InChIKeyIQDUYTUQMQLLFS-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.49
Rot. Bonds3

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

2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine (PubChem CID 82337469) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
PubChem CID82337469
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
SMILESCOc1ccc(-c2nc3ncc(N)cc3o2)cc1OC
InChIInChI=1S/C14H13N3O3/c1-18-10-4-3-8(5-11(10)19-2)14-17-13-12(20-14)6-9(15)7-16-13/h3-7H,15H2,1-2H3
InChIKeyIQDUYTUQMQLLFS-UHFFFAOYSA-N
XLogP2.49
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 82337467
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 166595375
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-(3,4-dimethoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 56772452
[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156819
2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
CID 25034610
2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 54910238
6-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridin-3-amine
CID 10149716
2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337852
6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337691
5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
CID 86000885

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine (CID 82337469) is 2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine is COc1ccc(-c2nc3ncc(N)cc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The InChIKey is IQDUYTUQMQLLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-18-10-4-3-8(5-11(10)19-2)14-17-13-12(20-14)6-9(15)7-16-13/h3-7H,15H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine has a molecular weight of 271.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 82337469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).