N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

C11H10FN3O2 — CID 2812132

IUPACN'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ccc(F)cc2)no1
InChIInChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-4-2-8(12)3-5-9/h2-6,13H,1H3,(H,14,16)
InChIKeyBVAINDZISGHOQL-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.88
Rot. Bonds3

About N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 2812132) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID2812132
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC NameN'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ccc(F)cc2)no1
InChIInChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-4-2-8(12)3-5-9/h2-6,13H,1H3,(H,14,16)
InChIKeyBVAINDZISGHOQL-UHFFFAOYSA-N
XLogP1.88
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.88
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

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CID 3759
N'-(2-fluorophenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812147
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CID 2744592
N'-(2,5-dichlorophenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2810946
N'-(2,4-dimethylphenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812367
N'-(3,4-dimethylphenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812483
N'-(4-chlorophenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812574
N'-(2,4-difluorophenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812872
N1-phenyl-2-[(5-methylisoxazol-3-yl)carbonyl]hydrazine-1-carboxamide
CID 2743502
3-Isoxazolecarboxylic acid, 5-methyl-, 2-(alpha-methylphenethyl)hydrazide
CID 43479
3-Isoxazolecarboxamide, 5-methyl-N-phenyl-
CID 2744550
N-(2-Fluorophenyl)-5-(propan-2-YL)-1,2-oxazole-3-carboxamide
CID 53016939

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (CID 2812132) is N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNc2ccc(F)cc2)no1.
What is the InChIKey of N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is BVAINDZISGHOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-4-2-8(12)3-5-9/h2-6,13H,1H3,(H,14,16).
What are the key properties of N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 235.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 2812132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).