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

C21H23FN4O2 — CID 46203951

IUPACN-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide
SMILESNc1ccccc1NC(=O)CCCCCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C21H23FN4O2/c22-16-13-11-15(12-14-16)21-25-20(28-26-21)10-4-2-1-3-9-19(27)24-18-8-6-5-7-17(18)23/h5-8,11-14H,1-4,9-10,23H2,(H,24,27)
InChIKeyHEXWCSFYISOOQD-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.59
Rot. Bonds9

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

N-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide (PubChem CID 46203951) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide
PubChem CID46203951
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide
SMILESNc1ccccc1NC(=O)CCCCCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C21H23FN4O2/c22-16-13-11-15(12-14-16)21-25-20(28-26-21)10-4-2-1-3-9-19(27)24-18-8-6-5-7-17(18)23/h5-8,11-14H,1-4,9-10,23H2,(H,24,27)
InChIKeyHEXWCSFYISOOQD-UHFFFAOYSA-N
XLogP4.59
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.59
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-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The IUPAC name of N-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide (CID 46203951) is N-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide.
What is the SMILES notation for N-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The canonical SMILES for N-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide is Nc1ccccc1NC(=O)CCCCCCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The InChIKey is HEXWCSFYISOOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-16-13-11-15(12-14-16)21-25-20(28-26-21)10-4-2-1-3-9-19(27)24-18-8-6-5-7-17(18)23/h5-8,11-14H,1-4,9-10,23H2,(H,24,27).
What are the key properties of N-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
N-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide has a molecular weight of 382.44 g/mol, XLogP of 4.59, 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-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide is sourced from PubChem (CID 46203951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).