2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide

C20H20N4O7 — CID 1015487

IUPAC2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nonc1NC(=O)COc1ccccc1OC
InChIInChI=1S/C20H20N4O7/c1-27-13-7-3-5-9-15(13)29-11-17(25)21-19-20(24-31-23-19)22-18(26)12-30-16-10-6-4-8-14(16)28-2/h3-10H,11-12H2,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyNWOGLJONXCFIHD-UHFFFAOYSA-N
MW428.40 g/mol
LogP2.12
Rot. Bonds10

About 2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide

2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 1015487) has the molecular formula C20H20N4O7 and a molecular weight of 428.40 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID1015487
Molecular FormulaC20H20N4O7
Molecular Weight428.40 g/mol
Exact Mass428.13
IUPAC Name2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nonc1NC(=O)COc1ccccc1OC
InChIInChI=1S/C20H20N4O7/c1-27-13-7-3-5-9-15(13)29-11-17(25)21-19-20(24-31-23-19)22-18(26)12-30-16-10-6-4-8-14(16)28-2/h3-10H,11-12H2,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyNWOGLJONXCFIHD-UHFFFAOYSA-N
XLogP2.12
TPSA134.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide (CID 1015487) is 2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide is COc1ccccc1OCC(=O)Nc1nonc1NC(=O)COc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is NWOGLJONXCFIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O7/c1-27-13-7-3-5-9-15(13)29-11-17(25)21-19-20(24-31-23-19)22-18(26)12-30-16-10-6-4-8-14(16)28-2/h3-10H,11-12H2,1-2H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 428.40 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 1015487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).