3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide

C15H19N3O2 — CID 2811457

IUPAC3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C)c1C(=O)NNc1ccc(C(C)C)cc1
InChIInChI=1S/C15H19N3O2/c1-9(2)12-5-7-13(8-6-12)16-17-15(19)14-10(3)18-20-11(14)4/h5-9,16H,1-4H3,(H,17,19)
InChIKeyYIBQBDDYCJMCNU-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.17
Rot. Bonds4

About 3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide

3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide (PubChem CID 2811457) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide
PubChem CID2811457
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C)c1C(=O)NNc1ccc(C(C)C)cc1
InChIInChI=1S/C15H19N3O2/c1-9(2)12-5-7-13(8-6-12)16-17-15(19)14-10(3)18-20-11(14)4/h5-9,16H,1-4H3,(H,17,19)
InChIKeyYIBQBDDYCJMCNU-UHFFFAOYSA-N
XLogP3.17
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.17
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 3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide (CID 2811457) is 3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide is Cc1noc(C)c1C(=O)NNc1ccc(C(C)C)cc1.
What is the InChIKey of 3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide?
The InChIKey is YIBQBDDYCJMCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)12-5-7-13(8-6-12)16-17-15(19)14-10(3)18-20-11(14)4/h5-9,16H,1-4H3,(H,17,19).
What are the key properties of 3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide?
3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide has a molecular weight of 273.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N'-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2811457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).