N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide

C18H25N5O3 — CID 56504264

IUPACN'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)CCCc2nc(C(C)C)no2)cc1
InChIInChI=1S/C18H25N5O3/c1-12(2)18-20-17(26-23-18)6-4-5-15(24)21-22-16(25)11-19-14-9-7-13(3)8-10-14/h7-10,12,19H,4-6,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyJLGZWXPSPZKKEA-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.08
Rot. Bonds8

About N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide

N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide (PubChem CID 56504264) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide
PubChem CID56504264
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)CCCc2nc(C(C)C)no2)cc1
InChIInChI=1S/C18H25N5O3/c1-12(2)18-20-17(26-23-18)6-4-5-15(24)21-22-16(25)11-19-14-9-7-13(3)8-10-14/h7-10,12,19H,4-6,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyJLGZWXPSPZKKEA-UHFFFAOYSA-N
XLogP2.08
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide 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

1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide
CID 55666200
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-[2-(4-methylanilino)acetyl]propanehydrazide
CID 55407391
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide
CID 55752242
N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47029394
N-(4-tert-butylphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46446507
N-(3-hydroxybutyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111429116
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110908899
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56536259
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 47029635
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51955789
N-methyl-N-propan-2-yl-4-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]benzamide
CID 55760328

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide?
The IUPAC name of N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide (CID 56504264) is N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide.
What is the SMILES notation for N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide?
The canonical SMILES for N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide is Cc1ccc(NCC(=O)NNC(=O)CCCc2nc(C(C)C)no2)cc1.
What is the InChIKey of N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide?
The InChIKey is JLGZWXPSPZKKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12(2)18-20-17(26-23-18)6-4-5-15(24)21-22-16(25)11-19-14-9-7-13(3)8-10-14/h7-10,12,19H,4-6,11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide?
N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide has a molecular weight of 359.43 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide is sourced from PubChem (CID 56504264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).