ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

C10H11N5O3S — CID 70677752

IUPACethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCCOC(=O)CSc1nnc(-c2nccnc2N)o1
InChIInChI=1S/C10H11N5O3S/c1-2-17-6(16)5-19-10-15-14-9(18-10)7-8(11)13-4-3-12-7/h3-4H,2,5H2,1H3,(H2,11,13)
InChIKeyXYJXBJWZGVKVDH-UHFFFAOYSA-N
MW281.30 g/mol
LogP0.76
Rot. Bonds5

About ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 70677752) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID70677752
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Nameethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCCOC(=O)CSc1nnc(-c2nccnc2N)o1
InChIInChI=1S/C10H11N5O3S/c1-2-17-6(16)5-19-10-15-14-9(18-10)7-8(11)13-4-3-12-7/h3-4H,2,5H2,1H3,(H2,11,13)
InChIKeyXYJXBJWZGVKVDH-UHFFFAOYSA-N
XLogP0.76
TPSA117.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate with MolForge

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Related Compounds

ethyl 2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 6494283
ethyl 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 859156
ethyl 2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 1152578
methyl 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 859580
ethyl 2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 864831
ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 53265037
ethyl 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 864820
ethyl 2-[[5-(6,7-diphenyltetrazolo[1,5-b]pyridazin-8-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 12022614
butyl 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 84603542
propyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 2281095
pentyl 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 2053876
hexyl 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 19205113

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 70677752) is ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is CCOC(=O)CSc1nnc(-c2nccnc2N)o1.
What is the InChIKey of ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is XYJXBJWZGVKVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-2-17-6(16)5-19-10-15-14-9(18-10)7-8(11)13-4-3-12-7/h3-4H,2,5H2,1H3,(H2,11,13).
What are the key properties of ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 281.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 70677752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).