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

C20H18FN3O4 — CID 25163555

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C20H18FN3O4/c1-12-16(13(2)28-24-12)11-27-18-10-6-4-8-15(18)20(26)23-22-19(25)14-7-3-5-9-17(14)21/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDJGPBHFIFTWOMB-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.08
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide (PubChem CID 25163555) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
PubChem CID25163555
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C20H18FN3O4/c1-12-16(13(2)28-24-12)11-27-18-10-6-4-8-15(18)20(26)23-22-19(25)14-7-3-5-9-17(14)21/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDJGPBHFIFTWOMB-UHFFFAOYSA-N
XLogP3.08
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
N'-(2-isopropoxybenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 6873548
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)benzamide
CID 24818340
3-Ethyl-5-methyl-N'-[(4-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide
CID 24980078
N'-(4-ethoxybenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 9555452
N''-[4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoyl]-2-hydroxy-benzohydrazide
CID 7535133
N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 7780024
3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide
CID 9320743
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 24978794
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 24981258
N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-fluorobenzohydrazide
CID 25161607
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 25162007

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide (CID 25163555) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide is Cc1noc(C)c1COc1ccccc1C(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide?
The InChIKey is DJGPBHFIFTWOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-12-16(13(2)28-24-12)11-27-18-10-6-4-8-15(18)20(26)23-22-19(25)14-7-3-5-9-17(14)21/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide has a molecular weight of 383.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide is sourced from PubChem (CID 25163555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).