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

C15H16FN3O3 — CID 8624261

IUPACN'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide
SMILESCc1noc(C)c1CCC(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C15H16FN3O3/c1-9-11(10(2)22-19-9)7-8-14(20)17-18-15(21)12-5-3-4-6-13(12)16/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyNEILUQAMLJRRHW-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.82
Rot. Bonds4

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

N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide (PubChem CID 8624261) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide
PubChem CID8624261
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide
SMILESCc1noc(C)c1CCC(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C15H16FN3O3/c1-9-11(10(2)22-19-9)7-8-14(20)17-18-15(21)12-5-3-4-6-13(12)16/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyNEILUQAMLJRRHW-UHFFFAOYSA-N
XLogP1.82
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(2-phenoxyethoxy)benzohydrazide
CID 8635825
N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide
CID 55467217
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 8624242
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 39710711
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-fluorophenyl)thiourea
CID 8635666
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466376
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110908981
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone
CID 30752824
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide (CID 8624261) is N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide is Cc1noc(C)c1CCC(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide?
The InChIKey is NEILUQAMLJRRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-9-11(10(2)22-19-9)7-8-14(20)17-18-15(21)12-5-3-4-6-13(12)16/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide?
N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide has a molecular weight of 305.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 8624261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).