(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate

C17H16N4O5S — CID 51133705

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate
SMILESCN(CC(=O)OCc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H16N4O5S/c1-21(27(23,24)14-8-5-9-18-10-14)11-16(22)25-12-15-19-20-17(26-15)13-6-3-2-4-7-13/h2-10H,11-12H2,1H3
InChIKeyGHDOYHGIFMUKDY-UHFFFAOYSA-N
MW388.41 g/mol
LogP1.50
Rot. Bonds7

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate (PubChem CID 51133705) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate
PubChem CID51133705
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate
SMILESCN(CC(=O)OCc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H16N4O5S/c1-21(27(23,24)14-8-5-9-18-10-14)11-16(22)25-12-15-19-20-17(26-15)13-6-3-2-4-7-13/h2-10H,11-12H2,1H3
InChIKeyGHDOYHGIFMUKDY-UHFFFAOYSA-N
XLogP1.50
TPSA115.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate (CID 51133705) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate is CN(CC(=O)OCc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cccnc1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate?
The InChIKey is GHDOYHGIFMUKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-21(27(23,24)14-8-5-9-18-10-14)11-16(22)25-12-15-19-20-17(26-15)13-6-3-2-4-7-13/h2-10H,11-12H2,1H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate has a molecular weight of 388.41 g/mol, XLogP of 1.50, 7 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 2-[methyl(pyridin-3-ylsulfonyl)amino]acetate is sourced from PubChem (CID 51133705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).