N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C16H11FN4O5S — CID 110319215

IUPACN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3nnc(-c4ccc(F)cc4)o3)cc2o1
InChIInChI=1S/C16H11FN4O5S/c17-10-3-1-9(2-4-10)15-21-20-14(26-15)8-18-27(23,24)11-5-6-12-13(7-11)25-16(22)19-12/h1-7,18H,8H2,(H,19,22)
InChIKeyAZPYLAMQJLLBQA-UHFFFAOYSA-N
MW390.35 g/mol
LogP1.79
Rot. Bonds5

About N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110319215) has the molecular formula C16H11FN4O5S and a molecular weight of 390.35 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110319215
Molecular FormulaC16H11FN4O5S
Molecular Weight390.35 g/mol
Exact Mass390.04
IUPAC NameN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3nnc(-c4ccc(F)cc4)o3)cc2o1
InChIInChI=1S/C16H11FN4O5S/c17-10-3-1-9(2-4-10)15-21-20-14(26-15)8-18-27(23,24)11-5-6-12-13(7-11)25-16(22)19-12/h1-7,18H,8H2,(H,19,22)
InChIKeyAZPYLAMQJLLBQA-UHFFFAOYSA-N
XLogP1.79
TPSA131.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110319215) is N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCc3nnc(-c4ccc(F)cc4)o3)cc2o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is AZPYLAMQJLLBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O5S/c17-10-3-1-9(2-4-10)15-21-20-14(26-15)8-18-27(23,24)11-5-6-12-13(7-11)25-16(22)19-12/h1-7,18H,8H2,(H,19,22).
What are the key properties of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 390.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110319215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).