2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

C25H18FN3O2S — CID 16878841

IUPAC2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)Cc4cc(-c5ccc(F)cc5)on4)cc3)sc2c1
InChIInChI=1S/C25H18FN3O2S/c1-15-2-11-21-23(12-15)32-25(28-21)17-5-9-19(10-6-17)27-24(30)14-20-13-22(31-29-20)16-3-7-18(26)8-4-16/h2-13H,14H2,1H3,(H,27,30)
InChIKeyBPBGOKXFGFXAGK-UHFFFAOYSA-N
MW443.50 g/mol
LogP6.25
Rot. Bonds5

About 2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 16878841) has the molecular formula C25H18FN3O2S and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
PubChem CID16878841
Molecular FormulaC25H18FN3O2S
Molecular Weight443.50 g/mol
Exact Mass443.11
IUPAC Name2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)Cc4cc(-c5ccc(F)cc5)on4)cc3)sc2c1
InChIInChI=1S/C25H18FN3O2S/c1-15-2-11-21-23(12-15)32-25(28-21)17-5-9-19(10-6-17)27-24(30)14-20-13-22(31-29-20)16-3-7-18(26)8-4-16/h2-13H,14H2,1H3,(H,27,30)
InChIKeyBPBGOKXFGFXAGK-UHFFFAOYSA-N
XLogP6.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 16878841) is 2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is Cc1ccc2nc(-c3ccc(NC(=O)Cc4cc(-c5ccc(F)cc5)on4)cc3)sc2c1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is BPBGOKXFGFXAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2S/c1-15-2-11-21-23(12-15)32-25(28-21)17-5-9-19(10-6-17)27-24(30)14-20-13-22(31-29-20)16-3-7-18(26)8-4-16/h2-13H,14H2,1H3,(H,27,30).
What are the key properties of 2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 16878841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).