1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide

C24H25N7O3 — CID 55666200

IUPAC1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide
SMILESCC(C)c1noc(CCCC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1
InChIInChI=1S/C24H25N7O3/c1-16(2)21-25-20(34-30-21)15-9-14-19(32)27-28-24(33)22-26-23(17-10-5-3-6-11-17)31(29-22)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyIKTFBGOJOHKMFQ-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.22
Rot. Bonds8

About 1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide

1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide (PubChem CID 55666200) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound Name1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide
PubChem CID55666200
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Name1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide
SMILESCC(C)c1noc(CCCC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1
InChIInChI=1S/C24H25N7O3/c1-16(2)21-25-20(34-30-21)15-9-14-19(32)27-28-24(33)22-26-23(17-10-5-3-6-11-17)31(29-22)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyIKTFBGOJOHKMFQ-UHFFFAOYSA-N
XLogP3.22
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-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'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 39710711
N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 56504264
3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide
CID 55752242
2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide
CID 55712838
N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 24540560
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899
N-[(R)-(4-fluorophenyl)-phenylmethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51956080
N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55756308
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 47029635
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56536259
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111566233
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of 1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide (CID 55666200) is 1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for 1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for 1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide is CC(C)c1noc(CCCC(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1.
What is the InChIKey of 1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide?
The InChIKey is IKTFBGOJOHKMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-16(2)21-25-20(34-30-21)15-9-14-19(32)27-28-24(33)22-26-23(17-10-5-3-6-11-17)31(29-22)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,27,32)(H,28,33).
What are the key properties of 1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide?
1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide has a molecular weight of 459.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 55666200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).