(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate

C20H19N3O6S — CID 16521597

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19N3O6S/c24-20(28-14-18-21-22-19(29-18)15-5-2-1-3-6-15)16-7-4-8-17(13-16)30(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12,14H2
InChIKeyLAJUDOJWFDIUJH-UHFFFAOYSA-N
MW429.45 g/mol
LogP2.11
Rot. Bonds6

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 16521597) has the molecular formula C20H19N3O6S and a molecular weight of 429.45 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
PubChem CID16521597
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19N3O6S/c24-20(28-14-18-21-22-19(29-18)15-5-2-1-3-6-15)16-7-4-8-17(13-16)30(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12,14H2
InChIKeyLAJUDOJWFDIUJH-UHFFFAOYSA-N
XLogP2.11
TPSA111.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(1,3,4-Oxadiazol-2-yl)phenyl]sulfonylmorpholine
CID 2408761
Ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 151887648
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2080327
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2089447
2-[[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824619
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 16532331
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 2483899
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2418267
4-[[5-(3-Morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one
CID 7534391
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528787
N,N-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 891540
N,N-diethyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 1107095

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate (CID 16521597) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate is O=C(OCc1nnc(-c2ccccc2)o1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is LAJUDOJWFDIUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6S/c24-20(28-14-18-21-22-19(29-18)15-5-2-1-3-6-15)16-7-4-8-17(13-16)30(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12,14H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 429.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16521597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).