N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide

C12H13N3O2 — CID 3759

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IUPACN'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNCc2ccccc2)no1
InChIInChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
InChIKeyXKFPYPQQHFEXRZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.42
Rot. Bonds4

About N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide

N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 3759) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID3759
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNCc2ccccc2)no1
InChIInChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
InChIKeyXKFPYPQQHFEXRZ-UHFFFAOYSA-N
XLogP1.42
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.42
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

3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one
CID 28482
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CID 2812147
N-benzyl-2-[(5-methyl-3-isoxazolyl)carbonyl]hydrazinecarbothioamide
CID 840953
N'-(4-chlorobenzoyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2744352
5-(tert-butyl)-N'-[4-(trifluoromethyl)benzoyl]-3-isoxazolecarbohydrazide
CID 2744592
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
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide
CID 135348856
3-Isoxazolecarboxylic acid, 5-methyl-, 2-(alpha-methylphenethyl)hydrazide
CID 43479

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide (CID 3759) is N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNCc2ccccc2)no1.
What is the InChIKey of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is XKFPYPQQHFEXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16).
What are the key properties of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide?
N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 231.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 3759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).