[4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

C19H16FN3O6S — CID 16551651

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(Oc1ccc(-c2nnco2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H16FN3O6S/c20-16-6-3-14(11-17(16)30(25,26)23-7-9-27-10-8-23)19(24)29-15-4-1-13(2-5-15)18-22-21-12-28-18/h1-6,11-12H,7-10H2
InChIKeyZGTHFFOTPSEKOP-UHFFFAOYSA-N
MW433.42 g/mol
LogP2.12
Rot. Bonds5

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

[4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 16551651) has the molecular formula C19H16FN3O6S and a molecular weight of 433.42 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
PubChem CID16551651
Molecular FormulaC19H16FN3O6S
Molecular Weight433.42 g/mol
Exact Mass433.07
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(Oc1ccc(-c2nnco2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H16FN3O6S/c20-16-6-3-14(11-17(16)30(25,26)23-7-9-27-10-8-23)19(24)29-15-4-1-13(2-5-15)18-22-21-12-28-18/h1-6,11-12H,7-10H2
InChIKeyZGTHFFOTPSEKOP-UHFFFAOYSA-N
XLogP2.12
TPSA111.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(4-cyanophenyl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 3652953
1,3-benzodioxol-5-yl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 3280819
4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55961764
(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 8778499
(4-chlorophenyl) 4-bromo-3-morpholin-4-ylsulfonylbenzoate
CID 1079076
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 42972404
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
(2-chloro-5-methylphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2673628
(4-bromophenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 1124157
(4-methoxyphenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 42993326
cyanomethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2681686
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (CID 16551651) is [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is O=C(Oc1ccc(-c2nnco2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is ZGTHFFOTPSEKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O6S/c20-16-6-3-14(11-17(16)30(25,26)23-7-9-27-10-8-23)19(24)29-15-4-1-13(2-5-15)18-22-21-12-28-18/h1-6,11-12H,7-10H2.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 433.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16551651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).