2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole

C30H24N2O4S — CID 17297013

IUPAC2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(-c6ccc(C)c(C)c6)nc5c4)ccc3o2)cc1C
InChIInChI=1S/C30H24N2O4S/c1-17-5-7-21(13-19(17)3)29-31-25-15-23(9-11-27(25)35-29)37(33,34)24-10-12-28-26(16-24)32-30(36-28)22-8-6-18(2)20(4)14-22/h5-16H,1-4H3
InChIKeyBHDMBEAYIDARNG-UHFFFAOYSA-N
MW508.60 g/mol
LogP7.37
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole

2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole (PubChem CID 17297013) has the molecular formula C30H24N2O4S and a molecular weight of 508.60 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
PubChem CID17297013
Molecular FormulaC30H24N2O4S
Molecular Weight508.60 g/mol
Exact Mass508.15
IUPAC Name2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(-c6ccc(C)c(C)c6)nc5c4)ccc3o2)cc1C
InChIInChI=1S/C30H24N2O4S/c1-17-5-7-21(13-19(17)3)29-31-25-15-23(9-11-27(25)35-29)37(33,34)24-10-12-28-26(16-24)32-30(36-28)22-8-6-18(2)20(4)14-22/h5-16H,1-4H3
InChIKeyBHDMBEAYIDARNG-UHFFFAOYSA-N
XLogP7.37
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole 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

2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297014
2-(3,4-dimethylphenyl)-1,3-benzoxazole-5-carbaldehyde
CID 82159693
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
2-(4-butoxyphenyl)-5-[[2-(4-butoxyphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 135294656
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 20792473
1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
2-(4-prop-2-enoxyphenyl)-5-[[2-(4-prop-2-enoxyphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 135296215
2,2,2-trichloro-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241503
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 3395409
5-[[2-(4-butylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-2-[(4-butylphenyl)methyl]-1,3-benzoxazole
CID 155301867
5-chloro-2-(4-methylsulfonylphenyl)-1,3-benzoxazole
CID 67331973

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole (CID 17297013) is 2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole is Cc1ccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(-c6ccc(C)c(C)c6)nc5c4)ccc3o2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
The InChIKey is BHDMBEAYIDARNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4S/c1-17-5-7-21(13-19(17)3)29-31-25-15-23(9-11-27(25)35-29)37(33,34)24-10-12-28-26(16-24)32-30(36-28)22-8-6-18(2)20(4)14-22/h5-16H,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole has a molecular weight of 508.60 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole is sourced from PubChem (CID 17297013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).