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

C6H9N3O3 — CID 63587192

IUPAC5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide
SMILESCOCc1cc(C(=O)NN)no1
InChIInChI=1S/C6H9N3O3/c1-11-3-4-2-5(9-12-4)6(10)8-7/h2H,3,7H2,1H3,(H,8,10)
InChIKeyBYDDYQOQZJZVQI-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.58
Rot. Bonds3

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

5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 63587192) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide
PubChem CID63587192
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide
SMILESCOCc1cc(C(=O)NN)no1
InChIInChI=1S/C6H9N3O3/c1-11-3-4-2-5(9-12-4)6(10)8-7/h2H,3,7H2,1H3,(H,8,10)
InChIKeyBYDDYQOQZJZVQI-UHFFFAOYSA-N
XLogP-0.58
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-(methoxymethyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide (CID 63587192) is 5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide is COCc1cc(C(=O)NN)no1.
What is the InChIKey of 5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is BYDDYQOQZJZVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-11-3-4-2-5(9-12-4)6(10)8-7/h2H,3,7H2,1H3,(H,8,10).
What are the key properties of 5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide?
5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 171.16 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63587192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).