6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole

C21H14N2O — CID 59691045

IUPAC6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole
SMILESc1ccc(-c2c(-c3cccc4ccccc34)nc3occn23)cc1
InChIInChI=1S/C21H14N2O/c1-2-8-16(9-3-1)20-19(22-21-23(20)13-14-24-21)18-12-6-10-15-7-4-5-11-17(15)18/h1-14H
InChIKeySLKHCEUHOKHCRL-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.41
Rot. Bonds2

About 6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole

6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole (PubChem CID 59691045) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole
PubChem CID59691045
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole
SMILESc1ccc(-c2c(-c3cccc4ccccc34)nc3occn23)cc1
InChIInChI=1S/C21H14N2O/c1-2-8-16(9-3-1)20-19(22-21-23(20)13-14-24-21)18-12-6-10-15-7-4-5-11-17(15)18/h1-14H
InChIKeySLKHCEUHOKHCRL-UHFFFAOYSA-N
XLogP5.41
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole (CID 59691045) is 6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole is c1ccc(-c2c(-c3cccc4ccccc34)nc3occn23)cc1.
What is the InChIKey of 6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole?
The InChIKey is SLKHCEUHOKHCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c1-2-8-16(9-3-1)20-19(22-21-23(20)13-14-24-21)18-12-6-10-15-7-4-5-11-17(15)18/h1-14H.
What are the key properties of 6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole?
6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole has a molecular weight of 310.36 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-5-phenylimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59691045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).