[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate

C15H10F2N2O6S — CID 7679669

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate
SMILESO=C(OCc1nnc(-c2ccco2)o1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H10F2N2O6S/c16-15(17)26(21,22)10-5-3-9(4-6-10)14(20)24-8-12-18-19-13(25-12)11-2-1-7-23-11/h1-7,15H,8H2
InChIKeyWDMGUMQTPOKSHB-UHFFFAOYSA-N
MW384.32 g/mol
LogP2.68
Rot. Bonds6

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate (PubChem CID 7679669) has the molecular formula C15H10F2N2O6S and a molecular weight of 384.32 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate
PubChem CID7679669
Molecular FormulaC15H10F2N2O6S
Molecular Weight384.32 g/mol
Exact Mass384.02
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate
SMILESO=C(OCc1nnc(-c2ccco2)o1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H10F2N2O6S/c16-15(17)26(21,22)10-5-3-9(4-6-10)14(20)24-8-12-18-19-13(25-12)11-2-1-7-23-11/h1-7,15H,8H2
InChIKeyWDMGUMQTPOKSHB-UHFFFAOYSA-N
XLogP2.68
TPSA112.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate (CID 7679669) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate is O=C(OCc1nnc(-c2ccco2)o1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate?
The InChIKey is WDMGUMQTPOKSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O6S/c16-15(17)26(21,22)10-5-3-9(4-6-10)14(20)24-8-12-18-19-13(25-12)11-2-1-7-23-11/h1-7,15H,8H2.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate has a molecular weight of 384.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethylsulfonyl)benzoate is sourced from PubChem (CID 7679669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).