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

C20H16N2O — CID 82337553

IUPAC2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESc1ccc(C(Cc2nc3cccnc3o2)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O/c1-3-8-15(9-4-1)17(16-10-5-2-6-11-16)14-19-22-18-12-7-13-21-20(18)23-19/h1-13,17H,14H2
InChIKeyXIFARKUSRASPCO-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.60
Rot. Bonds4

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

2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337553) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337553
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESc1ccc(C(Cc2nc3cccnc3o2)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O/c1-3-8-15(9-4-1)17(16-10-5-2-6-11-16)14-19-22-18-12-7-13-21-20(18)23-19/h1-13,17H,14H2
InChIKeyXIFARKUSRASPCO-UHFFFAOYSA-N
XLogP4.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
CID 83859387
2-(2,2-diphenylethyl)-1,3-benzoxazol-6-ol
CID 22733420
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
2-(2-bromo-2-phenylethyl)-1,3-benzoxazole
CID 66458807
2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine
CID 83833362
2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone
CID 96629973
1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanamine
CID 82277094
5-([1,3]oxazolo[5,4-b]pyridin-2-yl)-6-phenylpyrazin-2-amine
CID 137431157
2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
CID 101481286
2-[2-(3-chloro-2-pyridinyl)but-3-ynyl]-1,3-benzoxazole
CID 142688281
5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 752713
2-benzylfuro[2,3-b]pyridine
CID 10536385

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 82337553) is 2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine is c1ccc(C(Cc2nc3cccnc3o2)c2ccccc2)cc1.
What is the InChIKey of 2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is XIFARKUSRASPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-3-8-15(9-4-1)17(16-10-5-2-6-11-16)14-19-22-18-12-7-13-21-20(18)23-19/h1-13,17H,14H2.
What are the key properties of 2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 300.36 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).