6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole

C27H22N2O3S — CID 71108942

IUPAC6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4occn4c3-c3ccc(S(C)(=O)=O)cc3)cc21
InChIInChI=1S/C27H22N2O3S/c1-27(2)22-7-5-4-6-20(22)21-13-10-18(16-23(21)27)24-25(29-14-15-32-26(29)28-24)17-8-11-19(12-9-17)33(3,30)31/h4-16H,1-3H3
InChIKeyFKLHUXBLWGZKPZ-UHFFFAOYSA-N
MW454.55 g/mol
LogP5.97
Rot. Bonds3

About 6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole

6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 71108942) has the molecular formula C27H22N2O3S and a molecular weight of 454.55 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID71108942
Molecular FormulaC27H22N2O3S
Molecular Weight454.55 g/mol
Exact Mass454.14
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4occn4c3-c3ccc(S(C)(=O)=O)cc3)cc21
InChIInChI=1S/C27H22N2O3S/c1-27(2)22-7-5-4-6-20(22)21-13-10-18(16-23(21)27)24-25(29-14-15-32-26(29)28-24)17-8-11-19(12-9-17)33(3,30)31/h4-16H,1-3H3
InChIKeyFKLHUXBLWGZKPZ-UHFFFAOYSA-N
XLogP5.97
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(9,9-dimethylfluoren-2-yl)-6-phenylimidazo[2,1-b][1,3]oxazole
CID 59691136
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
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
6-(9,9-dimethylfluoren-2-yl)-2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-phenylpyridine
CID 58881124
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole (CID 71108942) is 6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole is CC1(C)c2ccccc2-c2ccc(-c3nc4occn4c3-c3ccc(S(C)(=O)=O)cc3)cc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is FKLHUXBLWGZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3S/c1-27(2)22-7-5-4-6-20(22)21-13-10-18(16-23(21)27)24-25(29-14-15-32-26(29)28-24)17-8-11-19(12-9-17)33(3,30)31/h4-16H,1-3H3.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole?
6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 454.55 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-5-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 71108942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).