N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide

C23H25N3O5 — CID 8635825

IUPACN'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide
SMILESCc1noc(C)c1CCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H25N3O5/c1-16-19(17(2)31-26-16)12-13-22(27)24-25-23(28)20-10-6-7-11-21(20)30-15-14-29-18-8-4-3-5-9-18/h3-11H,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZQFPZUJHPLOGLI-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.14
Rot. Bonds9

About N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide

N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide (PubChem CID 8635825) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide
PubChem CID8635825
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide
SMILESCc1noc(C)c1CCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H25N3O5/c1-16-19(17(2)31-26-16)12-13-22(27)24-25-23(28)20-10-6-7-11-21(20)30-15-14-29-18-8-4-3-5-9-18/h3-11H,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZQFPZUJHPLOGLI-UHFFFAOYSA-N
XLogP3.14
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide
CID 8624261
N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
CID 4955613
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 43005699
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 25162867
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 39710711
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
2-phenylethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55335080
3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 27685461
N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 31974696

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide?
The IUPAC name of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide (CID 8635825) is N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide is Cc1noc(C)c1CCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide?
The InChIKey is ZQFPZUJHPLOGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-16-19(17(2)31-26-16)12-13-22(27)24-25-23(28)20-10-6-7-11-21(20)30-15-14-29-18-8-4-3-5-9-18/h3-11H,12-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide?
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide has a molecular weight of 423.47 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-(2-phenoxyethoxy)benzohydrazide is sourced from PubChem (CID 8635825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).