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

C13H15N3O2 — CID 2812483

IUPACN'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ccc(C)c(C)c2)no1
InChIInChI=1S/C13H15N3O2/c1-8-4-5-11(6-9(8)2)14-15-13(17)12-7-10(3)18-16-12/h4-7,14H,1-3H3,(H,15,17)
InChIKeyKZSDKSXIOMQLTI-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.36
Rot. Bonds3

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

N'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 2812483) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID2812483
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2ccc(C)c(C)c2)no1
InChIInChI=1S/C13H15N3O2/c1-8-4-5-11(6-9(8)2)14-15-13(17)12-7-10(3)18-16-12/h4-7,14H,1-3H3,(H,15,17)
InChIKeyKZSDKSXIOMQLTI-UHFFFAOYSA-N
XLogP2.36
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.36
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
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5-(tert-butyl)-N'-[4-(trifluoromethyl)benzoyl]-3-isoxazolecarbohydrazide
CID 2744592
N'-(4-isopropylphenyl)-3,5-dimethyl-4-isoxazolecarbohydrazide
CID 2811457
N'-(2,4-dimethylphenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812367
N'-(3,4-dimethylphenyl)-5-isoxazolecarbohydrazide
CID 2812486
N'-(2,4-difluorophenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812872
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
3-Isoxazolecarboxylic acid, 5-methyl-, 2-(alpha-methylphenethyl)hydrazide
CID 43479
N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
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5-methyl-N'-[4-(trifluoromethyl)benzoyl]-3-isoxazolecarbohydrazide
CID 2744353

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (CID 2812483) is N'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNc2ccc(C)c(C)c2)no1.
What is the InChIKey of N'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is KZSDKSXIOMQLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-4-5-11(6-9(8)2)14-15-13(17)12-7-10(3)18-16-12/h4-7,14H,1-3H3,(H,15,17).
What are the key properties of N'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
N'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 245.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 2812483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).