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

C24H28N4O5 — CID 155521234

IUPACN-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide
SMILESCOc1ccc(N(Cc2noc(-c3cccc(C)c3)n2)C(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C24H28N4O5/c1-17-7-6-8-18(15-17)24-25-21(27-33-24)16-28(19-11-13-20(32-2)14-12-19)23(30)10-5-3-4-9-22(29)26-31/h6-8,11-15,31H,3-5,9-10,16H2,1-2H3,(H,26,29)
InChIKeyFWEXSVPAFHZDSL-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.04
Rot. Bonds11

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

N-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide (PubChem CID 155521234) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide
PubChem CID155521234
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide
SMILESCOc1ccc(N(Cc2noc(-c3cccc(C)c3)n2)C(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C24H28N4O5/c1-17-7-6-8-18(15-17)24-25-21(27-33-24)16-28(19-11-13-20(32-2)14-12-19)23(30)10-5-3-4-9-22(29)26-31/h6-8,11-15,31H,3-5,9-10,16H2,1-2H3,(H,26,29)
InChIKeyFWEXSVPAFHZDSL-UHFFFAOYSA-N
XLogP4.04
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.04
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'}

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Related Compounds

N-(4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-carboxamide
CID 107780
2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 665754
6-Methoxy-3-(5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)quinolin-2-ol
CID 946390
6-methoxy-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinolin-2(1H)-one
CID 664662
N-[3-(3-Dimethylaminopropyl)-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide
CID 10370874
N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10624768
GR 127935 hydrochloride
CID 11497466
3-[5-ethyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
CID 141473863
3-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-yl]-6-methoxy-quinolin-2-ol
CID 651756
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 665498
4-[4-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide
CID 1864443

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide?
The IUPAC name of N-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide (CID 155521234) is N-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide.
What is the SMILES notation for N-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide?
The canonical SMILES for N-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide is COc1ccc(N(Cc2noc(-c3cccc(C)c3)n2)C(=O)CCCCCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide?
The InChIKey is FWEXSVPAFHZDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-17-7-6-8-18(15-17)24-25-21(27-33-24)16-28(19-11-13-20(32-2)14-12-19)23(30)10-5-3-4-9-22(29)26-31/h6-8,11-15,31H,3-5,9-10,16H2,1-2H3,(H,26,29).
What are the key properties of N-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide?
N-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide has a molecular weight of 452.51 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(4-methoxyphenyl)-N'-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]heptanediamide is sourced from PubChem (CID 155521234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).