N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

C21H19N3O5S — CID 17254248

IUPACN-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESCCOc1ccccc1-c1cc(NC(=O)COCc2cc(-c3cccs3)on2)on1
InChIInChI=1S/C21H19N3O5S/c1-2-27-17-7-4-3-6-15(17)16-11-21(29-24-16)22-20(25)13-26-12-14-10-18(28-23-14)19-8-5-9-30-19/h3-11H,2,12-13H2,1H3,(H,22,25)
InChIKeyWQZBNBYEWQWAIE-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.61
Rot. Bonds9

About N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (PubChem CID 17254248) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
PubChem CID17254248
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC NameN-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESCCOc1ccccc1-c1cc(NC(=O)COCc2cc(-c3cccs3)on2)on1
InChIInChI=1S/C21H19N3O5S/c1-2-27-17-7-4-3-6-15(17)16-11-21(29-24-16)22-20(25)13-26-12-14-10-18(28-23-14)19-8-5-9-30-19/h3-11H,2,12-13H2,1H3,(H,22,25)
InChIKeyWQZBNBYEWQWAIE-UHFFFAOYSA-N
XLogP4.61
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The IUPAC name of N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (CID 17254248) is N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.
What is the SMILES notation for N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The canonical SMILES for N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is CCOc1ccccc1-c1cc(NC(=O)COCc2cc(-c3cccs3)on2)on1.
What is the InChIKey of N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The InChIKey is WQZBNBYEWQWAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-2-27-17-7-4-3-6-15(17)16-11-21(29-24-16)22-20(25)13-26-12-14-10-18(28-23-14)19-8-5-9-30-19/h3-11H,2,12-13H2,1H3,(H,22,25).
What are the key properties of N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide has a molecular weight of 425.47 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is sourced from PubChem (CID 17254248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).