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

C26H14F2N2O4S — CID 17297014

IUPAC2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
SMILESO=S(=O)(c1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H14F2N2O4S/c27-17-5-1-15(2-6-17)25-29-21-13-19(9-11-23(21)33-25)35(31,32)20-10-12-24-22(14-20)30-26(34-24)16-3-7-18(28)8-4-16/h1-14H
InChIKeyOIXNILXRTUYOHE-UHFFFAOYSA-N
MW488.47 g/mol
LogP6.41
Rot. Bonds4

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

2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole (PubChem CID 17297014) has the molecular formula C26H14F2N2O4S and a molecular weight of 488.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
PubChem CID17297014
Molecular FormulaC26H14F2N2O4S
Molecular Weight488.47 g/mol
Exact Mass488.06
IUPAC Name2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
SMILESO=S(=O)(c1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H14F2N2O4S/c27-17-5-1-15(2-6-17)25-29-21-13-19(9-11-23(21)33-25)35(31,32)20-10-12-24-22(14-20)30-26(34-24)16-3-7-18(28)8-4-16/h1-14H
InChIKeyOIXNILXRTUYOHE-UHFFFAOYSA-N
XLogP6.41
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297013
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
2-(4-prop-2-enoxyphenyl)-5-[[2-(4-prop-2-enoxyphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 135296215
5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole
CID 67331340
2-(4-butoxyphenyl)-5-[[2-(4-butoxyphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 135294656
2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-5-sulfonic acid
CID 58810936
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
[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 81422815
N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 146733141
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol
CID 142716097

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole (CID 17297014) is 2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole is O=S(=O)(c1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc2oc(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
The InChIKey is OIXNILXRTUYOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F2N2O4S/c27-17-5-1-15(2-6-17)25-29-21-13-19(9-11-23(21)33-25)35(31,32)20-10-12-24-22(14-20)30-26(34-24)16-3-7-18(28)8-4-16/h1-14H.
What are the key properties of 2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?
2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole has a molecular weight of 488.47 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole is sourced from PubChem (CID 17297014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).