1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione

C21H20N4O5 — CID 167998101

IUPAC1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione
SMILESCOc1cccc(-c2noc(CN3CCN(c4ccccc4OC)C(=O)C3=O)n2)c1
InChIInChI=1S/C21H20N4O5/c1-28-15-7-5-6-14(12-15)19-22-18(30-23-19)13-24-10-11-25(21(27)20(24)26)16-8-3-4-9-17(16)29-2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyRVAQNQWLAQOACF-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.13
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione

1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione (PubChem CID 167998101) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione
PubChem CID167998101
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione
SMILESCOc1cccc(-c2noc(CN3CCN(c4ccccc4OC)C(=O)C3=O)n2)c1
InChIInChI=1S/C21H20N4O5/c1-28-15-7-5-6-14(12-15)19-22-18(30-23-19)13-24-10-11-25(21(27)20(24)26)16-8-3-4-9-17(16)29-2/h3-9,12H,10-11,13H2,1-2H3
InChIKeyRVAQNQWLAQOACF-UHFFFAOYSA-N
XLogP2.13
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione
CID 167997703
(4aS,8aS)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 95154066
3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one
CID 32546821
N-ethyl-1-(2-methoxyphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 131895308
3-(3-methoxyphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 34728562
(2S)-1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 124688617
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 1318256
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione
CID 146074768
[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 111103293
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46689292
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8592317
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione (CID 167998101) is 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione is COc1cccc(-c2noc(CN3CCN(c4ccccc4OC)C(=O)C3=O)n2)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione?
The InChIKey is RVAQNQWLAQOACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-28-15-7-5-6-14(12-15)19-22-18(30-23-19)13-24-10-11-25(21(27)20(24)26)16-8-3-4-9-17(16)29-2/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione?
1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione has a molecular weight of 408.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 167998101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).