5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide

C8H11N3O3 — CID 63576126

IUPAC5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide
SMILESC=CCOCc1cc(C(=O)NN)no1
InChIInChI=1S/C8H11N3O3/c1-2-3-13-5-6-4-7(11-14-6)8(12)10-9/h2,4H,1,3,5,9H2,(H,10,12)
InChIKeyZZYMDORFBQCEFJ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.02
Rot. Bonds5

About 5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide

5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 63576126) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide
PubChem CID63576126
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide
SMILESC=CCOCc1cc(C(=O)NN)no1
InChIInChI=1S/C8H11N3O3/c1-2-3-13-5-6-4-7(11-14-6)8(12)10-9/h2,4H,1,3,5,9H2,(H,10,12)
InChIKeyZZYMDORFBQCEFJ-UHFFFAOYSA-N
XLogP-0.02
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.02
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': 'isolated_alkene', '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-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide (CID 63576126) is 5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide is C=CCOCc1cc(C(=O)NN)no1.
What is the InChIKey of 5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is ZZYMDORFBQCEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-3-13-5-6-4-7(11-14-6)8(12)10-9/h2,4H,1,3,5,9H2,(H,10,12).
What are the key properties of 5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide?
5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 197.19 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63576126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).