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

C16H19N3O3 — CID 9377267

IUPAC3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2c(CC)noc2C)cc1
InChIInChI=1S/C16H19N3O3/c1-4-11-6-8-12(9-7-11)15(20)17-18-16(21)14-10(3)22-19-13(14)5-2/h6-9H,4-5H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyRISKVSUKCWCNIA-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.18
Rot. Bonds4

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

3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 9377267) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID9377267
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2c(CC)noc2C)cc1
InChIInChI=1S/C16H19N3O3/c1-4-11-6-8-12(9-7-11)15(20)17-18-16(21)14-10(3)22-19-13(14)5-2/h6-9H,4-5H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyRISKVSUKCWCNIA-UHFFFAOYSA-N
XLogP2.18
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.18
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-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide (CID 9377267) is 3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide is CCc1ccc(C(=O)NNC(=O)c2c(CC)noc2C)cc1.
What is the InChIKey of 3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is RISKVSUKCWCNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-11-6-8-12(9-7-11)15(20)17-18-16(21)14-10(3)22-19-13(14)5-2/h6-9H,4-5H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 301.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N'-(4-ethylbenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9377267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).