N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

C22H18ClN5O3 — CID 55494267

IUPACN'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H18ClN5O3/c23-16-9-5-4-8-15(16)19-13-24-21(31-19)11-10-20(29)27-28-22(30)18-12-17(25-26-18)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,25,26)(H,27,29)(H,28,30)
InChIKeyUONSFCCEANYRCE-UHFFFAOYSA-N
MW435.87 g/mol
LogP3.78
Rot. Bonds6

About N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 55494267) has the molecular formula C22H18ClN5O3 and a molecular weight of 435.87 g/mol. Its IUPAC name is N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID55494267
Molecular FormulaC22H18ClN5O3
Molecular Weight435.87 g/mol
Exact Mass435.11
IUPAC NameN'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H18ClN5O3/c23-16-9-5-4-8-15(16)19-13-24-21(31-19)11-10-20(29)27-28-22(30)18-12-17(25-26-18)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,25,26)(H,27,29)(H,28,30)
InChIKeyUONSFCCEANYRCE-UHFFFAOYSA-N
XLogP3.78
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 55991548
N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 24676617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
CID 18137997
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
CID 18135458
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-phenylcyclobutyl)propanamide
CID 51316256
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119429994
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(4-methoxyanilino)acetyl]propanehydrazide
CID 55497381
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(2-ethoxyphenoxy)acetyl]propanehydrazide
CID 30039999
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide
CID 55791873
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 34689755

Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 55494267) is N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(CCc1ncc(-c2ccccc2Cl)o1)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is UONSFCCEANYRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3/c23-16-9-5-4-8-15(16)19-13-24-21(31-19)11-10-20(29)27-28-22(30)18-12-17(25-26-18)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,25,26)(H,27,29)(H,28,30).
What are the key properties of N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 435.87 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 55494267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).