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

C20H17N3O — CID 134809054

IUPAC7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1ccc(-c2cc(-c3cccnc3)nc3c(C)noc23)c(C)c1
InChIInChI=1S/C20H17N3O/c1-12-6-7-16(13(2)9-12)17-10-18(15-5-4-8-21-11-15)22-19-14(3)23-24-20(17)19/h4-11H,1-3H3
InChIKeyPVQMNQOYXLAROG-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.88
Rot. Bonds2

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

7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 134809054) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine
PubChem CID134809054
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1ccc(-c2cc(-c3cccnc3)nc3c(C)noc23)c(C)c1
InChIInChI=1S/C20H17N3O/c1-12-6-7-16(13(2)9-12)17-10-18(15-5-4-8-21-11-15)22-19-14(3)23-24-20(17)19/h4-11H,1-3H3
InChIKeyPVQMNQOYXLAROG-UHFFFAOYSA-N
XLogP4.88
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine
CID 134811094
7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine
CID 134804944
N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine
CID 46907134
5-[3-(2,5-dimethylphenyl)-1H-pyrazol-5-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 27375608
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
5-(3-methylphenyl)-3-pyridin-3-yl-1,2-oxazole
CID 44546226
3-(2-tert-butyl-4-methylphenyl)pyridine
CID 130318628
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191
[3-[8-(2,4-dimethylphenyl)isoquinolin-5-yl]phenyl]boronic acid
CID 171751456
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine (CID 134809054) is 7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine is Cc1ccc(-c2cc(-c3cccnc3)nc3c(C)noc23)c(C)c1.
What is the InChIKey of 7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is PVQMNQOYXLAROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-12-6-7-16(13(2)9-12)17-10-18(15-5-4-8-21-11-15)22-19-14(3)23-24-20(17)19/h4-11H,1-3H3.
What are the key properties of 7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine?
7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 315.38 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethylphenyl)-3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 134809054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).