N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide

C21H24N4O2 — CID 46203315

IUPACN-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide
SMILESNc1ccccc1NC(=O)CCCCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C21H24N4O2/c22-17-12-8-9-13-18(17)23-19(26)14-6-1-2-7-15-20-24-21(25-27-20)16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,22H2,(H,23,26)
InChIKeyYIKGMJNNHMFVDX-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.45
Rot. Bonds9

About N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide

N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide (PubChem CID 46203315) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide
PubChem CID46203315
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide
SMILESNc1ccccc1NC(=O)CCCCCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C21H24N4O2/c22-17-12-8-9-13-18(17)23-19(26)14-6-1-2-7-15-20-24-21(25-27-20)16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,22H2,(H,23,26)
InChIKeyYIKGMJNNHMFVDX-UHFFFAOYSA-N
XLogP4.45
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide 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-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide?
The IUPAC name of N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide (CID 46203315) is N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide.
What is the SMILES notation for N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide?
The canonical SMILES for N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide is Nc1ccccc1NC(=O)CCCCCCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide?
The InChIKey is YIKGMJNNHMFVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-17-12-8-9-13-18(17)23-19(26)14-6-1-2-7-15-20-24-21(25-27-20)16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,22H2,(H,23,26).
What are the key properties of N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide?
N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide has a molecular weight of 364.45 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide is sourced from PubChem (CID 46203315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).