[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate

C18H15F2N3O5S — CID 51875156

IUPAC[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1cccc(OC(F)F)c1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C18H15F2N3O5S/c1-10(16-22-23-17(28-16)13-6-3-7-29-13)26-14(24)9-21-15(25)11-4-2-5-12(8-11)27-18(19)20/h2-8,10,18H,9H2,1H3,(H,21,25)/t10-/m1/s1
InChIKeyYLNDGGJOJOKISK-SNVBAGLBSA-N
MW423.40 g/mol
LogP3.43
Rot. Bonds8

About [(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate

[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate (PubChem CID 51875156) has the molecular formula C18H15F2N3O5S and a molecular weight of 423.40 g/mol. Its IUPAC name is [(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Name[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
PubChem CID51875156
Molecular FormulaC18H15F2N3O5S
Molecular Weight423.40 g/mol
Exact Mass423.07
IUPAC Name[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1cccc(OC(F)F)c1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C18H15F2N3O5S/c1-10(16-22-23-17(28-16)13-6-3-7-29-13)26-14(24)9-21-15(25)11-4-2-5-12(8-11)27-18(19)20/h2-8,10,18H,9H2,1H3,(H,21,25)/t10-/m1/s1
InChIKeyYLNDGGJOJOKISK-SNVBAGLBSA-N
XLogP3.43
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate with MolForge

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Related Compounds

[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-benzamidoacetate
CID 7696157
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8943626
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate
CID 18209821
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-naphthalen-1-ylacetate
CID 7696095
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate
CID 9412822
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-bromophenoxy)acetate
CID 7702444
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-difluorobenzoate
CID 7699524
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7705576
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate
CID 55459291
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 7715970
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7604905

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The IUPAC name of [(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate (CID 51875156) is [(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate.
What is the SMILES notation for [(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The canonical SMILES for [(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate is C[C@@H](OC(=O)CNC(=O)c1cccc(OC(F)F)c1)c1nnc(-c2cccs2)o1.
What is the InChIKey of [(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
The InChIKey is YLNDGGJOJOKISK-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15F2N3O5S/c1-10(16-22-23-17(28-16)13-6-3-7-29-13)26-14(24)9-21-15(25)11-4-2-5-12(8-11)27-18(19)20/h2-8,10,18H,9H2,1H3,(H,21,25)/t10-/m1/s1.
What are the key properties of [(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate?
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate has a molecular weight of 423.40 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate is sourced from PubChem (CID 51875156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).