5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide

C19H19N5O4 — CID 32658761

IUPAC5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2cc(C3CC3)on2)c2ccccc2c1=O
InChIInChI=1S/C19H19N5O4/c1-2-9-24-19(27)13-6-4-3-5-12(13)16(22-24)18(26)21-20-17(25)14-10-15(28-23-14)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,20,25)(H,21,26)
InChIKeyWRDFGAHOHSBYOQ-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.75
Rot. Bonds5

About 5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide

5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 32658761) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide
PubChem CID32658761
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2cc(C3CC3)on2)c2ccccc2c1=O
InChIInChI=1S/C19H19N5O4/c1-2-9-24-19(27)13-6-4-3-5-12(13)16(22-24)18(26)21-20-17(25)14-10-15(28-23-14)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,20,25)(H,21,26)
InChIKeyWRDFGAHOHSBYOQ-UHFFFAOYSA-N
XLogP1.75
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-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'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 42888146
5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71779472
4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide
CID 55507090
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 27551732
2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 55341289
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
4-oxo-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327076
ethyl 2-methyl-6-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]pyridine-3-carboxylate
CID 55630447
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide
CID 46638081

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide (CID 32658761) is 5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide is CCCn1nc(C(=O)NNC(=O)c2cc(C3CC3)on2)c2ccccc2c1=O.
What is the InChIKey of 5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is WRDFGAHOHSBYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-2-9-24-19(27)13-6-4-3-5-12(13)16(22-24)18(26)21-20-17(25)14-10-15(28-23-14)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,20,25)(H,21,26).
What are the key properties of 5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide?
5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 381.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 32658761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).