[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

C20H17ClFN3O6S — CID 55315492

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C20H17ClFN3O6S/c21-14-3-1-13(2-4-14)19-24-23-18(31-19)12-30-20(26)16-11-15(5-6-17(16)22)32(27,28)25-7-9-29-10-8-25/h1-6,11H,7-10,12H2
InChIKeyARXIXRNXHQVFHI-UHFFFAOYSA-N
MW481.89 g/mol
LogP2.91
Rot. Bonds6

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 55315492) has the molecular formula C20H17ClFN3O6S and a molecular weight of 481.89 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID55315492
Molecular FormulaC20H17ClFN3O6S
Molecular Weight481.89 g/mol
Exact Mass481.05
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C20H17ClFN3O6S/c21-14-3-1-13(2-4-14)19-24-23-18(31-19)12-30-20(26)16-11-15(5-6-17(16)22)32(27,28)25-7-9-29-10-8-25/h1-6,11H,7-10,12H2
InChIKeyARXIXRNXHQVFHI-UHFFFAOYSA-N
XLogP2.91
TPSA111.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.89
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 55315492) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is ARXIXRNXHQVFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O6S/c21-14-3-1-13(2-4-14)19-24-23-18(31-19)12-30-20(26)16-11-15(5-6-17(16)22)32(27,28)25-7-9-29-10-8-25/h1-6,11H,7-10,12H2.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 481.89 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 55315492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).