N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C16H8F2N4O2S — CID 51064558

IUPACN-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1cc(-c2ccc(F)c(F)c2)on1
InChIInChI=1S/C16H8F2N4O2S/c17-9-5-4-8(6-10(9)18)14-7-13(20-24-14)16(23)19-11-2-1-3-12-15(11)22-25-21-12/h1-7H,(H,19,23)
InChIKeyLEFJKDTULIVFNT-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.88
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 51064558) has the molecular formula C16H8F2N4O2S and a molecular weight of 358.33 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID51064558
Molecular FormulaC16H8F2N4O2S
Molecular Weight358.33 g/mol
Exact Mass358.03
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1cc(-c2ccc(F)c(F)c2)on1
InChIInChI=1S/C16H8F2N4O2S/c17-9-5-4-8(6-10(9)18)14-7-13(20-24-14)16(23)19-11-2-1-3-12-15(11)22-25-21-12/h1-7H,(H,19,23)
InChIKeyLEFJKDTULIVFNT-UHFFFAOYSA-N
XLogP3.88
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 51064558) is N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccc2nsnc12)c1cc(-c2ccc(F)c(F)c2)on1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LEFJKDTULIVFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N4O2S/c17-9-5-4-8(6-10(9)18)14-7-13(20-24-14)16(23)19-11-2-1-3-12-15(11)22-25-21-12/h1-7H,(H,19,23).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 358.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51064558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).