ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate

C25H23N3O5S — CID 3181386

IUPACethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CSc1nnc(COc2cccc3ccccc23)o1)c1ccccc1
InChIInChI=1S/C25H23N3O5S/c1-2-31-24(30)15-28(19-11-4-3-5-12-19)23(29)17-34-25-27-26-22(33-25)16-32-21-14-8-10-18-9-6-7-13-20(18)21/h3-14H,2,15-17H2,1H3
InChIKeyWSMCFKYSAGCMOZ-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.49
Rot. Bonds10

About ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate

ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate (PubChem CID 3181386) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate
PubChem CID3181386
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Nameethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CSc1nnc(COc2cccc3ccccc23)o1)c1ccccc1
InChIInChI=1S/C25H23N3O5S/c1-2-31-24(30)15-28(19-11-4-3-5-12-19)23(29)17-34-25-27-26-22(33-25)16-32-21-14-8-10-18-9-6-7-13-20(18)21/h3-14H,2,15-17H2,1H3
InChIKeyWSMCFKYSAGCMOZ-UHFFFAOYSA-N
XLogP4.49
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate (CID 3181386) is ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate is CCOC(=O)CN(C(=O)CSc1nnc(COc2cccc3ccccc23)o1)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate?
The InChIKey is WSMCFKYSAGCMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-2-31-24(30)15-28(19-11-4-3-5-12-19)23(29)17-34-25-27-26-22(33-25)16-32-21-14-8-10-18-9-6-7-13-20(18)21/h3-14H,2,15-17H2,1H3.
What are the key properties of ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate?
ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate has a molecular weight of 477.54 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate is sourced from PubChem (CID 3181386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).