N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

C11H9Cl2N3O2 — CID 2812885

IUPACN'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C11H9Cl2N3O2/c1-6-5-9(16-18-6)11(17)15-14-10-7(12)3-2-4-8(10)13/h2-5,14H,1H3,(H,15,17)
InChIKeyTZYGUHUXFRCEBX-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.05
Rot. Bonds3

About N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 2812885) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID2812885
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC NameN'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2c(Cl)cccc2Cl)no1
InChIInChI=1S/C11H9Cl2N3O2/c1-6-5-9(16-18-6)11(17)15-14-10-7(12)3-2-4-8(10)13/h2-5,14H,1H3,(H,15,17)
InChIKeyTZYGUHUXFRCEBX-UHFFFAOYSA-N
XLogP3.05
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide (CID 2812885) is N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)no1.
What is the InChIKey of N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is TZYGUHUXFRCEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-6-5-9(16-18-6)11(17)15-14-10-7(12)3-2-4-8(10)13/h2-5,14H,1H3,(H,15,17).
What are the key properties of N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 286.12 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 2812885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).