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

C11H11N3O3S — CID 571587

IUPACmethyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
SMILESCOC(=O)C(C)Sc1nnc(-c2ccncc2)o1
InChIInChI=1S/C11H11N3O3S/c1-7(10(15)16-2)18-11-14-13-9(17-11)8-3-5-12-6-4-8/h3-7H,1-2H3
InChIKeyUXOBZJIFNOTFRQ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.79
Rot. Bonds4

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

methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate (PubChem CID 571587) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
PubChem CID571587
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Namemethyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
SMILESCOC(=O)C(C)Sc1nnc(-c2ccncc2)o1
InChIInChI=1S/C11H11N3O3S/c1-7(10(15)16-2)18-11-14-13-9(17-11)8-3-5-12-6-4-8/h3-7H,1-2H3
InChIKeyUXOBZJIFNOTFRQ-UHFFFAOYSA-N
XLogP1.79
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.79
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]propanoate?
The IUPAC name of methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate (CID 571587) is methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate.
What is the SMILES notation for methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
The canonical SMILES for methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate is COC(=O)C(C)Sc1nnc(-c2ccncc2)o1.
What is the InChIKey of methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
The InChIKey is UXOBZJIFNOTFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-7(10(15)16-2)18-11-14-13-9(17-11)8-3-5-12-6-4-8/h3-7H,1-2H3.
What are the key properties of methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
methyl 2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate has a molecular weight of 265.29 g/mol, XLogP of 1.79, 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]propanoate is sourced from PubChem (CID 571587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).