5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide

C11H19N3O3 — CID 55213015

IUPAC5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide
SMILESCCCCCCOCc1cc(C(=O)NN)no1
InChIInChI=1S/C11H19N3O3/c1-2-3-4-5-6-16-8-9-7-10(14-17-9)11(15)13-12/h7H,2-6,8,12H2,1H3,(H,13,15)
InChIKeyXVIVNFGBVKFRHF-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.38
Rot. Bonds8

About 5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide

5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 55213015) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide
PubChem CID55213015
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide
SMILESCCCCCCOCc1cc(C(=O)NN)no1
InChIInChI=1S/C11H19N3O3/c1-2-3-4-5-6-16-8-9-7-10(14-17-9)11(15)13-12/h7H,2-6,8,12H2,1H3,(H,13,15)
InChIKeyXVIVNFGBVKFRHF-UHFFFAOYSA-N
XLogP1.38
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide (CID 55213015) is 5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide is CCCCCCOCc1cc(C(=O)NN)no1.
What is the InChIKey of 5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is XVIVNFGBVKFRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-3-4-5-6-16-8-9-7-10(14-17-9)11(15)13-12/h7H,2-6,8,12H2,1H3,(H,13,15).
What are the key properties of 5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide?
5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 241.29 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexoxymethyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 55213015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).