7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine

C20H16N2O2 — CID 134804944

IUPAC7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine
SMILESCOc1ccccc1-c1cc(-c2ccccc2)nc2c(C)noc12
InChIInChI=1S/C20H16N2O2/c1-13-19-20(24-22-13)16(15-10-6-7-11-18(15)23-2)12-17(21-19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyCAOYCQQBLGVBHA-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.87
Rot. Bonds3

About 7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine

7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 134804944) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine
PubChem CID134804944
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine
SMILESCOc1ccccc1-c1cc(-c2ccccc2)nc2c(C)noc12
InChIInChI=1S/C20H16N2O2/c1-13-19-20(24-22-13)16(15-10-6-7-11-18(15)23-2)12-17(21-19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyCAOYCQQBLGVBHA-UHFFFAOYSA-N
XLogP4.87
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine (CID 134804944) is 7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine is COc1ccccc1-c1cc(-c2ccccc2)nc2c(C)noc12.
What is the InChIKey of 7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is CAOYCQQBLGVBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-19-20(24-22-13)16(15-10-6-7-11-18(15)23-2)12-17(21-19)14-8-4-3-5-9-14/h3-12H,1-2H3.
What are the key properties of 7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine?
7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 316.36 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 134804944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).