2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol

C23H28N4O5 — CID 46195321

IUPAC2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol
SMILESCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OC
InChIInChI=1S/C23H28N4O5/c1-3-31-19-8-7-15(11-20(19)30-2)22-25-21(26-32-22)17-5-4-6-18-16(17)9-10-27(18)12-23(24,13-28)14-29/h4-8,11,28-29H,3,9-10,12-14,24H2,1-2H3
InChIKeyQGLUQLMBZFHPSW-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.86
Rot. Bonds9

About 2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol

2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol (PubChem CID 46195321) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol
PubChem CID46195321
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol
SMILESCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OC
InChIInChI=1S/C23H28N4O5/c1-3-31-19-8-7-15(11-20(19)30-2)22-25-21(26-32-22)17-5-4-6-18-16(17)9-10-27(18)12-23(24,13-28)14-29/h4-8,11,28-29H,3,9-10,12-14,24H2,1-2H3
InChIKeyQGLUQLMBZFHPSW-UHFFFAOYSA-N
XLogP1.86
TPSA127.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol (CID 46195321) is 2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol is CCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OC.
What is the InChIKey of 2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol?
The InChIKey is QGLUQLMBZFHPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-3-31-19-8-7-15(11-20(19)30-2)22-25-21(26-32-22)17-5-4-6-18-16(17)9-10-27(18)12-23(24,13-28)14-29/h4-8,11,28-29H,3,9-10,12-14,24H2,1-2H3.
What are the key properties of 2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol?
2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol has a molecular weight of 440.50 g/mol, XLogP of 1.86, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[[4-[5-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]methyl]propane-1,3-diol is sourced from PubChem (CID 46195321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).