3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide

C17H13Cl2N3O2 — CID 2726143

IUPAC3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ccccc1
InChIInChI=1S/C17H13Cl2N3O2/c1-10-14(17(23)21-20-11-6-3-2-4-7-11)16(22-24-10)15-12(18)8-5-9-13(15)19/h2-9,20H,1H3,(H,21,23)
InChIKeyOZBUYKTYZIXKJQ-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.71
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide

3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide (PubChem CID 2726143) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide
PubChem CID2726143
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ccccc1
InChIInChI=1S/C17H13Cl2N3O2/c1-10-14(17(23)21-20-11-6-3-2-4-7-11)16(22-24-10)15-12(18)8-5-9-13(15)19/h2-9,20H,1H3,(H,21,23)
InChIKeyOZBUYKTYZIXKJQ-UHFFFAOYSA-N
XLogP4.71
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.71
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 3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide (CID 2726143) is 3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ccccc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is OZBUYKTYZIXKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-10-14(17(23)21-20-11-6-3-2-4-7-11)16(22-24-10)15-12(18)8-5-9-13(15)19/h2-9,20H,1H3,(H,21,23).
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide?
3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 362.22 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-methyl-N'-phenyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2726143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).