N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide

C20H16N4O4 — CID 151934309

IUPACN-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H16N4O4/c1-2-16(25)21-13-8-9-15-14(10-13)18(26)20(27)24(15)11-17-22-19(23-28-17)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,21,25)
InChIKeySZLPHQQUWUARAS-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.81
Rot. Bonds5

About N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide

N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide (PubChem CID 151934309) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide
PubChem CID151934309
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H16N4O4/c1-2-16(25)21-13-8-9-15-14(10-13)18(26)20(27)24(15)11-17-22-19(23-28-17)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,21,25)
InChIKeySZLPHQQUWUARAS-UHFFFAOYSA-N
XLogP2.81
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide 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 N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide?
The IUPAC name of N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide (CID 151934309) is N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide.
What is the SMILES notation for N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide?
The canonical SMILES for N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide is CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide?
The InChIKey is SZLPHQQUWUARAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-2-16(25)21-13-8-9-15-14(10-13)18(26)20(27)24(15)11-17-22-19(23-28-17)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,21,25).
What are the key properties of N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide?
N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide has a molecular weight of 376.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide is sourced from PubChem (CID 151934309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).