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

C19H17N3O4S — CID 646163

IUPACethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCCOC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1
InChIInChI=1S/C19H17N3O4S/c1-2-25-16(23)12-27-19-22-21-18(26-19)14-10-6-7-11-15(14)20-17(24)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,24)
InChIKeyFAUFCORRMHNABA-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.64
Rot. Bonds7

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

ethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 646163) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is ethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID646163
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Nameethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCCOC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1
InChIInChI=1S/C19H17N3O4S/c1-2-25-16(23)12-27-19-22-21-18(26-19)14-10-6-7-11-15(14)20-17(24)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,24)
InChIKeyFAUFCORRMHNABA-UHFFFAOYSA-N
XLogP3.64
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of ethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 646163) is ethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for ethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is CCOC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1.
What is the InChIKey of ethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is FAUFCORRMHNABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-2-25-16(23)12-27-19-22-21-18(26-19)14-10-6-7-11-15(14)20-17(24)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,24).
What are the key properties of ethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
ethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 383.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2-benzamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 646163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).