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

C13H15N3O2 — CID 2812367

IUPACN'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1ccc(NNC(=O)c2cc(C)on2)c(C)c1
InChIInChI=1S/C13H15N3O2/c1-8-4-5-11(9(2)6-8)14-15-13(17)12-7-10(3)18-16-12/h4-7,14H,1-3H3,(H,15,17)
InChIKeyABRMJCRCCZLEJT-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.36
Rot. Bonds3

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

N'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 2812367) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID2812367
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1ccc(NNC(=O)c2cc(C)on2)c(C)c1
InChIInChI=1S/C13H15N3O2/c1-8-4-5-11(9(2)6-8)14-15-13(17)12-7-10(3)18-16-12/h4-7,14H,1-3H3,(H,15,17)
InChIKeyABRMJCRCCZLEJT-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (CID 2812367) is N'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1ccc(NNC(=O)c2cc(C)on2)c(C)c1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is ABRMJCRCCZLEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-4-5-11(9(2)6-8)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'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
N'-(2,4-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'-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 2812367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).