N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide

C22H26N4O2 — CID 46203316

IUPACN-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide
SMILESCc1ccc(-c2noc(CCCCCCC(=O)Nc3ccccc3N)n2)cc1
InChIInChI=1S/C22H26N4O2/c1-16-12-14-17(15-13-16)22-25-21(28-26-22)11-5-3-2-4-10-20(27)24-19-9-7-6-8-18(19)23/h6-9,12-15H,2-5,10-11,23H2,1H3,(H,24,27)
InChIKeyQOKAHFFPOVFSKD-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.76
Rot. Bonds9

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

N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide (PubChem CID 46203316) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide
PubChem CID46203316
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide
SMILESCc1ccc(-c2noc(CCCCCCC(=O)Nc3ccccc3N)n2)cc1
InChIInChI=1S/C22H26N4O2/c1-16-12-14-17(15-13-16)22-25-21(28-26-22)11-5-3-2-4-10-20(27)24-19-9-7-6-8-18(19)23/h6-9,12-15H,2-5,10-11,23H2,1H3,(H,24,27)
InChIKeyQOKAHFFPOVFSKD-UHFFFAOYSA-N
XLogP4.76
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.76
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The IUPAC name of N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide (CID 46203316) is N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide.
What is the SMILES notation for N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The canonical SMILES for N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide is Cc1ccc(-c2noc(CCCCCCC(=O)Nc3ccccc3N)n2)cc1.
What is the InChIKey of N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The InChIKey is QOKAHFFPOVFSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-12-14-17(15-13-16)22-25-21(28-26-22)11-5-3-2-4-10-20(27)24-19-9-7-6-8-18(19)23/h6-9,12-15H,2-5,10-11,23H2,1H3,(H,24,27).
What are the key properties of N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide has a molecular weight of 378.48 g/mol, XLogP of 4.76, 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-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide is sourced from PubChem (CID 46203316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).