N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide

C19H22N6O4 — CID 39907313

IUPACN'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESCC(C)(C)c1noc(CCCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)n1
InChIInChI=1S/C19H22N6O4/c1-19(2,3)18-20-14(29-25-18)10-6-9-13(26)21-24-17(28)15-11-7-4-5-8-12(11)16(27)23-22-15/h4-5,7-8H,6,9-10H2,1-3H3,(H,21,26)(H,23,27)(H,24,28)
InChIKeyLHZNXNVSCXWJSJ-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.39
Rot. Bonds5

About N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide

N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide (PubChem CID 39907313) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
PubChem CID39907313
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC NameN'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESCC(C)(C)c1noc(CCCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)n1
InChIInChI=1S/C19H22N6O4/c1-19(2,3)18-20-14(29-25-18)10-6-9-13(26)21-24-17(28)15-11-7-4-5-8-12(11)16(27)23-22-15/h4-5,7-8H,6,9-10H2,1-3H3,(H,21,26)(H,23,27)(H,24,28)
InChIKeyLHZNXNVSCXWJSJ-UHFFFAOYSA-N
XLogP1.39
TPSA142.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55678680
N'-(4-methylpentanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 26873554
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]butanamide
CID 46456355
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N'-(4-fluorophenyl)butanehydrazide
CID 126799900
N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 4849396
3-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]-N-ethylbenzamide
CID 55724183
N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 78869966
N-(3-bromophenyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 39886363
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 35677956
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
4-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]butanamide
CID 20819157
N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907375

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The IUPAC name of N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide (CID 39907313) is N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide is CC(C)(C)c1noc(CCCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)n1.
What is the InChIKey of N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The InChIKey is LHZNXNVSCXWJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c1-19(2,3)18-20-14(29-25-18)10-6-9-13(26)21-24-17(28)15-11-7-4-5-8-12(11)16(27)23-22-15/h4-5,7-8H,6,9-10H2,1-3H3,(H,21,26)(H,23,27)(H,24,28).
What are the key properties of N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide has a molecular weight of 398.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 39907313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).