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

C20H16N2O2 — CID 134806295

IUPAC3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1noc2ccc(-c3ccccc3OCc3ccccc3)nc12
InChIInChI=1S/C20H16N2O2/c1-14-20-19(24-22-14)12-11-17(21-20)16-9-5-6-10-18(16)23-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyUCUYAJYFHYTCEJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.78
Rot. Bonds4

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

3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 134806295) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine
PubChem CID134806295
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1noc2ccc(-c3ccccc3OCc3ccccc3)nc12
InChIInChI=1S/C20H16N2O2/c1-14-20-19(24-22-14)12-11-17(21-20)16-9-5-6-10-18(16)23-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyUCUYAJYFHYTCEJ-UHFFFAOYSA-N
XLogP4.78
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(2-phenylmethoxyphenyl)triazine
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3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol
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3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine
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4-phenylmethoxy-1,2-benzoxazol-3-amine
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CID 154814748
3-ethyl-5-[1-(2-phenylmethoxyphenyl)imidazol-4-yl]-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine (CID 134806295) is 3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine is Cc1noc2ccc(-c3ccccc3OCc3ccccc3)nc12.
What is the InChIKey of 3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is UCUYAJYFHYTCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-14-20-19(24-22-14)12-11-17(21-20)16-9-5-6-10-18(16)23-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of 3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine?
3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 316.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-phenylmethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 134806295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).