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

C23H26N4O5 — CID 155531290

IUPACN-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide
SMILESCOc1ccc(N(Cc2noc(-c3ccccc3)n2)C(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C23H26N4O5/c1-31-19-14-12-18(13-15-19)27(22(29)11-7-3-6-10-21(28)25-30)16-20-24-23(32-26-20)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,30H,3,6-7,10-11,16H2,1H3,(H,25,28)
InChIKeyCXDJAWSOFCGCGY-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.73
Rot. Bonds11

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

N-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide (PubChem CID 155531290) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide
PubChem CID155531290
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide
SMILESCOc1ccc(N(Cc2noc(-c3ccccc3)n2)C(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C23H26N4O5/c1-31-19-14-12-18(13-15-19)27(22(29)11-7-3-6-10-21(28)25-30)16-20-24-23(32-26-20)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,30H,3,6-7,10-11,16H2,1H3,(H,25,28)
InChIKeyCXDJAWSOFCGCGY-UHFFFAOYSA-N
XLogP3.73
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.73
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
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
2-(4-methoxyphenyl)-N-{4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}acetamide
CID 2201684
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
5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 152061489
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
1-(4-Methoxyphenyl)-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 1086608

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide?
The IUPAC name of N-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide (CID 155531290) is N-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide.
What is the SMILES notation for N-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide?
The canonical SMILES for N-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide is COc1ccc(N(Cc2noc(-c3ccccc3)n2)C(=O)CCCCCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide?
The InChIKey is CXDJAWSOFCGCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-31-19-14-12-18(13-15-19)27(22(29)11-7-3-6-10-21(28)25-30)16-20-24-23(32-26-20)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,30H,3,6-7,10-11,16H2,1H3,(H,25,28).
What are the key properties of N-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide?
N-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide has a molecular weight of 438.48 g/mol, XLogP of 3.73, 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-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide is sourced from PubChem (CID 155531290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).