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

C10H9N3O3S — CID 742135

IUPACmethyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C10H9N3O3S/c1-15-8(14)6-17-10-13-12-9(16-10)7-2-4-11-5-3-7/h2-5H,6H2,1H3
InChIKeyJBWZEJRYFKNKMC-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.40
Rot. Bonds4

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

methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (PubChem CID 742135) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
PubChem CID742135
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Namemethyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C10H9N3O3S/c1-15-8(14)6-17-10-13-12-9(16-10)7-2-4-11-5-3-7/h2-5H,6H2,1H3
InChIKeyJBWZEJRYFKNKMC-UHFFFAOYSA-N
XLogP1.40
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (CID 742135) is methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is COC(=O)CSc1nnc(-c2ccncc2)o1.
What is the InChIKey of methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The InChIKey is JBWZEJRYFKNKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-15-8(14)6-17-10-13-12-9(16-10)7-2-4-11-5-3-7/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate has a molecular weight of 251.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 742135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).