N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide

C20H21N3O5 — CID 30707470

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C20H21N3O5/c1-13-7-8-14(2)17(11-13)27-12-19(25)22-21-18(24)9-10-23-15-5-3-4-6-16(15)28-20(23)26/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyKSCRJJPJLCMRNW-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.83
Rot. Bonds6

About N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide (PubChem CID 30707470) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
PubChem CID30707470
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C20H21N3O5/c1-13-7-8-14(2)17(11-13)27-12-19(25)22-21-18(24)9-10-23-15-5-3-4-6-16(15)28-20(23)26/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyKSCRJJPJLCMRNW-UHFFFAOYSA-N
XLogP1.83
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide 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'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 27845184
(2,5-dimethylphenyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 18823364
[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8646040
(2,3,5-trimethylphenyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 32998121
1-tert-butyl-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea
CID 9426017
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide
CID 134049177
2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide
CID 55379563
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 27705765
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9228097

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide (CID 30707470) is N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)CCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide?
The InChIKey is KSCRJJPJLCMRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-13-7-8-14(2)17(11-13)27-12-19(25)22-21-18(24)9-10-23-15-5-3-4-6-16(15)28-20(23)26/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide has a molecular weight of 383.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide is sourced from PubChem (CID 30707470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).