1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride

C12H10FN3O5S — CID 168716315

IUPAC1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C12H10FN3O5S/c13-22(19,20)9-5-10(18)16(6-9)12-15-14-11(21-12)7-1-3-8(17)4-2-7/h1-4,9,17H,5-6H2
InChIKeyCBUSLSGAEDRWNJ-UHFFFAOYSA-N
MW327.29 g/mol
LogP0.85
Rot. Bonds3

About 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168716315) has the molecular formula C12H10FN3O5S and a molecular weight of 327.29 g/mol. Its IUPAC name is 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168716315
Molecular FormulaC12H10FN3O5S
Molecular Weight327.29 g/mol
Exact Mass327.03
IUPAC Name1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C12H10FN3O5S/c13-22(19,20)9-5-10(18)16(6-9)12-15-14-11(21-12)7-1-3-8(17)4-2-7/h1-4,9,17H,5-6H2
InChIKeyCBUSLSGAEDRWNJ-UHFFFAOYSA-N
XLogP0.85
TPSA113.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168716315) is 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1nnc(-c2ccc(O)cc2)o1.
What is the InChIKey of 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is CBUSLSGAEDRWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O5S/c13-22(19,20)9-5-10(18)16(6-9)12-15-14-11(21-12)7-1-3-8(17)4-2-7/h1-4,9,17H,5-6H2.
What are the key properties of 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 327.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).