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

C20H20N4O5 — CID 3596684

IUPAC2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nonc2NC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N4O5/c1-27-15-7-3-13(4-8-15)11-17(25)21-19-20(24-29-23-19)22-18(26)12-14-5-9-16(28-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyOUWMULYPBWCCCU-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.45
Rot. Bonds8

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

2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 3596684) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID3596684
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nonc2NC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N4O5/c1-27-15-7-3-13(4-8-15)11-17(25)21-19-20(24-29-23-19)22-18(26)12-14-5-9-16(28-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyOUWMULYPBWCCCU-UHFFFAOYSA-N
XLogP2.45
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 949027
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2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
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CID 110605088

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide (CID 3596684) is 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide is COc1ccc(CC(=O)Nc2nonc2NC(=O)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is OUWMULYPBWCCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-27-15-7-3-13(4-8-15)11-17(25)21-19-20(24-29-23-19)22-18(26)12-14-5-9-16(28-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 396.40 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 3596684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).