benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate

C15H12N2O3S2 — CID 655056

IUPACbenzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESO=C(CSc1nnc(-c2cccs2)o1)OCc1ccccc1
InChIInChI=1S/C15H12N2O3S2/c18-13(19-9-11-5-2-1-3-6-11)10-22-15-17-16-14(20-15)12-7-4-8-21-12/h1-8H,9-10H2
InChIKeyADALEMIOKPTZMK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.63
Rot. Bonds6

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

benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (PubChem CID 655056) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
PubChem CID655056
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Namebenzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESO=C(CSc1nnc(-c2cccs2)o1)OCc1ccccc1
InChIInChI=1S/C15H12N2O3S2/c18-13(19-9-11-5-2-1-3-6-11)10-22-15-17-16-14(20-15)12-7-4-8-21-12/h1-8H,9-10H2
InChIKeyADALEMIOKPTZMK-UHFFFAOYSA-N
XLogP3.63
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (CID 655056) is benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is O=C(CSc1nnc(-c2cccs2)o1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The InChIKey is ADALEMIOKPTZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c18-13(19-9-11-5-2-1-3-6-11)10-22-15-17-16-14(20-15)12-7-4-8-21-12/h1-8H,9-10H2.
What are the key properties of benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate has a molecular weight of 332.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 655056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).