7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione

C20H15N3O3 — CID 18870517

IUPAC7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
SMILESCc1cccc2c1N(Cc1nnc(/C=C/c3ccccc3)o1)C(=O)C2=O
InChIInChI=1S/C20H15N3O3/c1-13-6-5-9-15-18(13)23(20(25)19(15)24)12-17-22-21-16(26-17)11-10-14-7-3-2-4-8-14/h2-11H,12H2,1H3/b11-10+
InChIKeyUPCGWHVLJGYLCG-ZHACJKMWSA-N
MW345.36 g/mol
LogP3.28
Rot. Bonds4

About 7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione

7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione (PubChem CID 18870517) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
PubChem CID18870517
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
SMILESCc1cccc2c1N(Cc1nnc(/C=C/c3ccccc3)o1)C(=O)C2=O
InChIInChI=1S/C20H15N3O3/c1-13-6-5-9-15-18(13)23(20(25)19(15)24)12-17-22-21-16(26-17)11-10-14-7-3-2-4-8-14/h2-11H,12H2,1H3/b11-10+
InChIKeyUPCGWHVLJGYLCG-ZHACJKMWSA-N
XLogP3.28
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione?
The IUPAC name of 7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione (CID 18870517) is 7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione?
The canonical SMILES for 7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione is Cc1cccc2c1N(Cc1nnc(/C=C/c3ccccc3)o1)C(=O)C2=O.
What is the InChIKey of 7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione?
The InChIKey is UPCGWHVLJGYLCG-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-13-6-5-9-15-18(13)23(20(25)19(15)24)12-17-22-21-16(26-17)11-10-14-7-3-2-4-8-14/h2-11H,12H2,1H3/b11-10+.
What are the key properties of 7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione?
7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione has a molecular weight of 345.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 18870517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).