1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

C18H17FN4O5S — CID 55546738

IUPAC1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
SMILESCC(OC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H17FN4O5S/c1-12(18-21-17(22-28-18)13-4-3-9-20-10-13)27-16(24)11-23(2)29(25,26)15-7-5-14(19)6-8-15/h3-10,12H,11H2,1-2H3
InChIKeyUHQWSSYZDLLODM-UHFFFAOYSA-N
MW420.42 g/mol
LogP2.20
Rot. Bonds7

About 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate (PubChem CID 55546738) has the molecular formula C18H17FN4O5S and a molecular weight of 420.42 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
PubChem CID55546738
Molecular FormulaC18H17FN4O5S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
SMILESCC(OC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H17FN4O5S/c1-12(18-21-17(22-28-18)13-4-3-9-20-10-13)27-16(24)11-23(2)29(25,26)15-7-5-14(19)6-8-15/h3-10,12H,11H2,1-2H3
InChIKeyUHQWSSYZDLLODM-UHFFFAOYSA-N
XLogP2.20
TPSA115.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate with MolForge

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Related Compounds

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55563076
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-bromophenyl)acetate
CID 46548702
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate
CID 46545372
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55939073
[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2,6-dimethoxybenzoate
CID 52562351
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(2,4-dichlorophenyl)acetate
CID 55547011
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848755
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55562582
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 8635365
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate
CID 46544316
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 46544490

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate (CID 55546738) is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate is CC(OC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1nc(-c2cccnc2)no1.
What is the InChIKey of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is UHQWSSYZDLLODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O5S/c1-12(18-21-17(22-28-18)13-4-3-9-20-10-13)27-16(24)11-23(2)29(25,26)15-7-5-14(19)6-8-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 420.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 55546738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).