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

C11H10N2O4S — CID 4752797

IUPACmethyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(-c2cccc(O)c2)o1
InChIInChI=1S/C11H10N2O4S/c1-16-9(15)6-18-11-13-12-10(17-11)7-3-2-4-8(14)5-7/h2-5,14H,6H2,1H3
InChIKeyCFPSLEXQUOPBNJ-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.71
Rot. Bonds4

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

methyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 4752797) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is methyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID4752797
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Namemethyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(-c2cccc(O)c2)o1
InChIInChI=1S/C11H10N2O4S/c1-16-9(15)6-18-11-13-12-10(17-11)7-3-2-4-8(14)5-7/h2-5,14H,6H2,1H3
InChIKeyCFPSLEXQUOPBNJ-UHFFFAOYSA-N
XLogP1.71
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of methyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 4752797) is methyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for methyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for methyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is COC(=O)CSc1nnc(-c2cccc(O)c2)o1.
What is the InChIKey of methyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is CFPSLEXQUOPBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-16-9(15)6-18-11-13-12-10(17-11)7-3-2-4-8(14)5-7/h2-5,14H,6H2,1H3.
What are the key properties of methyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
methyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 266.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 4752797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).