(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate

C17H13ClN2O3S — CID 2080382

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate
SMILESO=C(CSc1ccc(Cl)cc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H13ClN2O3S/c18-13-6-8-14(9-7-13)24-11-16(21)22-10-15-19-20-17(23-15)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyUJDIPRKSSAIILK-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.23
Rot. Bonds6

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate (PubChem CID 2080382) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate
PubChem CID2080382
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate
SMILESO=C(CSc1ccc(Cl)cc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H13ClN2O3S/c18-13-6-8-14(9-7-13)24-11-16(21)22-10-15-19-20-17(23-15)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyUJDIPRKSSAIILK-UHFFFAOYSA-N
XLogP4.23
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate (CID 2080382) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate is O=C(CSc1ccc(Cl)cc1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate?
The InChIKey is UJDIPRKSSAIILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c18-13-6-8-14(9-7-13)24-11-16(21)22-10-15-19-20-17(23-15)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate has a molecular weight of 360.82 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 2080382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).