[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate

C19H19N3O6S — CID 18280192

IUPAC[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate
SMILESCOc1ccc(-c2nnc(COC(=O)c3ccccc3N(C)S(C)(=O)=O)o2)cc1
InChIInChI=1S/C19H19N3O6S/c1-22(29(3,24)25)16-7-5-4-6-15(16)19(23)27-12-17-20-21-18(28-17)13-8-10-14(26-2)11-9-13/h4-11H,12H2,1-3H3
InChIKeyUFOLIFJVZFGBMM-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.50
Rot. Bonds7

About [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate (PubChem CID 18280192) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate
PubChem CID18280192
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate
SMILESCOc1ccc(-c2nnc(COC(=O)c3ccccc3N(C)S(C)(=O)=O)o2)cc1
InChIInChI=1S/C19H19N3O6S/c1-22(29(3,24)25)16-7-5-4-6-15(16)19(23)27-12-17-20-21-18(28-17)13-8-10-14(26-2)11-9-13/h4-11H,12H2,1-3H3
InChIKeyUFOLIFJVZFGBMM-UHFFFAOYSA-N
XLogP2.50
TPSA111.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate with MolForge

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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16619794
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2647320
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(thiophene-2-carbonyl)amino]benzoate
CID 55496878
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate
CID 46519545
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl naphthalene-1-carboxylate
CID 7377254
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510820
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
phenanthridin-6-ylmethyl 2-[methyl(methylsulfonyl)amino]benzoate
CID 24615652
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylbenzoate
CID 8891104

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate?
The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate (CID 18280192) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate is COc1ccc(-c2nnc(COC(=O)c3ccccc3N(C)S(C)(=O)=O)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate?
The InChIKey is UFOLIFJVZFGBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-22(29(3,24)25)16-7-5-4-6-15(16)19(23)27-12-17-20-21-18(28-17)13-8-10-14(26-2)11-9-13/h4-11H,12H2,1-3H3.
What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate?
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate has a molecular weight of 417.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(methylsulfonyl)amino]benzoate is sourced from PubChem (CID 18280192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).