N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide

C23H25FN4O5 — CID 155553120

IUPACN'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide
SMILESCOc1ccc(N(Cc2noc(-c3cccc(F)c3)n2)C(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C23H25FN4O5/c1-32-19-12-10-18(11-13-19)28(22(30)9-4-2-3-8-21(29)26-31)15-20-25-23(33-27-20)16-6-5-7-17(24)14-16/h5-7,10-14,31H,2-4,8-9,15H2,1H3,(H,26,29)
InChIKeyMHPYVTZFWDQVSW-UHFFFAOYSA-N
MW456.47 g/mol
LogP3.87
Rot. Bonds11

About N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide

N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide (PubChem CID 155553120) has the molecular formula C23H25FN4O5 and a molecular weight of 456.47 g/mol. Its IUPAC name is N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide.

Molecular Properties

Compound NameN'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide
PubChem CID155553120
Molecular FormulaC23H25FN4O5
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide
SMILESCOc1ccc(N(Cc2noc(-c3cccc(F)c3)n2)C(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C23H25FN4O5/c1-32-19-12-10-18(11-13-19)28(22(30)9-4-2-3-8-21(29)26-31)15-20-25-23(33-27-20)16-6-5-7-17(24)14-16/h5-7,10-14,31H,2-4,8-9,15H2,1H3,(H,26,29)
InChIKeyMHPYVTZFWDQVSW-UHFFFAOYSA-N
XLogP3.87
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide 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'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide?
The IUPAC name of N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide (CID 155553120) is N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide.
What is the SMILES notation for N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide?
The canonical SMILES for N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide is COc1ccc(N(Cc2noc(-c3cccc(F)c3)n2)C(=O)CCCCCC(=O)NO)cc1.
What is the InChIKey of N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide?
The InChIKey is MHPYVTZFWDQVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5/c1-32-19-12-10-18(11-13-19)28(22(30)9-4-2-3-8-21(29)26-31)15-20-25-23(33-27-20)16-6-5-7-17(24)14-16/h5-7,10-14,31H,2-4,8-9,15H2,1H3,(H,26,29).
What are the key properties of N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide?
N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide has a molecular weight of 456.47 g/mol, XLogP of 3.87, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-hydroxy-N'-(4-methoxyphenyl)heptanediamide is sourced from PubChem (CID 155553120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).