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

C14H11ClN2O3 — CID 82337691

IUPAC6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2nc3cc(Cl)cnc3o2)cc1OC
InChIInChI=1S/C14H11ClN2O3/c1-18-11-4-3-8(5-12(11)19-2)13-17-10-6-9(15)7-16-14(10)20-13/h3-7H,1-2H3
InChIKeyPGZAIBNPOYCCNM-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.56
Rot. Bonds3

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

6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337691) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337691
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2nc3cc(Cl)cnc3o2)cc1OC
InChIInChI=1S/C14H11ClN2O3/c1-18-11-4-3-8(5-12(11)19-2)13-17-10-6-9(15)7-16-14(10)20-13/h3-7H,1-2H3
InChIKeyPGZAIBNPOYCCNM-UHFFFAOYSA-N
XLogP3.56
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337852
6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337689
6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82337728
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
CID 25034610
[4-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)-2-methoxyphenyl] acetate
CID 752385
methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate
CID 139779387
2-(3,4-dimethoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 56772452
2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 82337469
4-chloro-2-(3,4-dimethoxyphenyl)pyridine
CID 102825072
[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 82357784
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine (CID 82337691) is 6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine is COc1ccc(-c2nc3cc(Cl)cnc3o2)cc1OC.
What is the InChIKey of 6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is PGZAIBNPOYCCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-18-11-4-3-8(5-12(11)19-2)13-17-10-6-9(15)7-16-14(10)20-13/h3-7H,1-2H3.
What are the key properties of 6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine?
6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 290.71 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).