3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide

C16H19N3O4 — CID 9320743

IUPAC3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)COc1ccccc1C
InChIInChI=1S/C16H19N3O4/c1-4-12-15(11(3)23-19-12)16(21)18-17-14(20)9-22-13-8-6-5-7-10(13)2/h5-8H,4,9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyXVUWYBFPNLWHSK-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.69
Rot. Bonds5

About 3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide

3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide (PubChem CID 9320743) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide
PubChem CID9320743
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)COc1ccccc1C
InChIInChI=1S/C16H19N3O4/c1-4-12-15(11(3)23-19-12)16(21)18-17-14(20)9-22-13-8-6-5-7-10(13)2/h5-8H,4,9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyXVUWYBFPNLWHSK-UHFFFAOYSA-N
XLogP1.69
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide (CID 9320743) is 3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide is CCc1noc(C)c1C(=O)NNC(=O)COc1ccccc1C.
What is the InChIKey of 3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide?
The InChIKey is XVUWYBFPNLWHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-4-12-15(11(3)23-19-12)16(21)18-17-14(20)9-22-13-8-6-5-7-10(13)2/h5-8H,4,9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide?
3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide has a molecular weight of 317.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N'-[2-(2-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9320743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).