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

C13H14N2O3S — CID 53265037

IUPACethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C13H14N2O3S/c1-2-17-12(16)9-19-13-15-14-11(18-13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeySRSXGZIASYETIQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.32
Rot. Bonds6

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

ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (PubChem CID 53265037) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
PubChem CID53265037
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Nameethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C13H14N2O3S/c1-2-17-12(16)9-19-13-15-14-11(18-13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeySRSXGZIASYETIQ-UHFFFAOYSA-N
XLogP2.32
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
CID 164897034
ethyl 4-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 1114546
ethyl 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate;hydrochloride
CID 52995027
ethyl 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 864820
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 7994747
diethyl 5-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 2970180
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 2941372
ethyl 2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 864831
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
CID 854782
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1008010
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 17421627
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 9484318

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate (CID 53265037) is ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is CCOC(=O)CSc1nnc(Cc2ccccc2)o1.
What is the InChIKey of ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
The InChIKey is SRSXGZIASYETIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-17-12(16)9-19-13-15-14-11(18-13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate?
ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate has a molecular weight of 278.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 53265037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).