5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole

C22H16N2O3S — CID 71109238

IUPAC5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc4ccccc4c3)nc3occn23)cc1
InChIInChI=1S/C22H16N2O3S/c1-28(25,26)19-10-8-16(9-11-19)21-20(23-22-24(21)12-13-27-22)18-7-6-15-4-2-3-5-17(15)14-18/h2-14H,1H3
InChIKeyBENSKFHDMKTUKK-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.82
Rot. Bonds3

About 5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole

5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole (PubChem CID 71109238) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
PubChem CID71109238
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC Name5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
SMILESCS(=O)(=O)c1ccc(-c2c(-c3ccc4ccccc4c3)nc3occn23)cc1
InChIInChI=1S/C22H16N2O3S/c1-28(25,26)19-10-8-16(9-11-19)21-20(23-22-24(21)12-13-27-22)18-7-6-15-4-2-3-5-17(15)14-18/h2-14H,1H3
InChIKeyBENSKFHDMKTUKK-UHFFFAOYSA-N
XLogP4.82
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole
CID 71108942
6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carbaldehyde
CID 142505392
6-phenyl-5-[4-[4-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]oxazole
CID 59999932
6-naphthalen-2-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine
CID 59691238
6-(4-phenoxyphenyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole
CID 59691082
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]imidazo[2,1-b][1,3]oxazol-6-yl]aniline
CID 59691270
2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine
CID 59999905
3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 70024217
3-[4-[3,5-bis[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine
CID 131846664
N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 142505432
5-(9,9-dimethylfluoren-2-yl)-6-phenylimidazo[2,1-b][1,3]oxazole
CID 59691136
(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine
CID 155566505

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole (CID 71109238) is 5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole is CS(=O)(=O)c1ccc(-c2c(-c3ccc4ccccc4c3)nc3occn23)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The InChIKey is BENSKFHDMKTUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S/c1-28(25,26)19-10-8-16(9-11-19)21-20(23-22-24(21)12-13-27-22)18-7-6-15-4-2-3-5-17(15)14-18/h2-14H,1H3.
What are the key properties of 5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole has a molecular weight of 388.45 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 71109238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).