N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide

C14H15N3O3 — CID 40727884

IUPACN'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-3-11-12(9(2)20-17-11)14(19)16-15-13(18)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyZBJMXKFQMHBMSU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.62
Rot. Bonds3

About N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide

N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 40727884) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID40727884
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-3-11-12(9(2)20-17-11)14(19)16-15-13(18)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyZBJMXKFQMHBMSU-UHFFFAOYSA-N
XLogP1.62
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.62
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'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide (CID 40727884) is N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide is CCc1noc(C)c1C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is ZBJMXKFQMHBMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-11-12(9(2)20-17-11)14(19)16-15-13(18)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 273.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 40727884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).