5-tert-butyl-1,3-oxazole-4-carbohydrazide

C8H13N3O2 — CID 71671584

IUPAC5-tert-butyl-1,3-oxazole-4-carbohydrazide
SMILESCC(C)(C)c1ocnc1C(=O)NN
InChIInChI=1S/C8H13N3O2/c1-8(2,3)6-5(7(12)11-9)10-4-13-6/h4H,9H2,1-3H3,(H,11,12)
InChIKeyRJUORJRQFRIWHZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.58
Rot. Bonds1

About 5-tert-butyl-1,3-oxazole-4-carbohydrazide

5-tert-butyl-1,3-oxazole-4-carbohydrazide (PubChem CID 71671584) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-tert-butyl-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name5-tert-butyl-1,3-oxazole-4-carbohydrazide
PubChem CID71671584
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-tert-butyl-1,3-oxazole-4-carbohydrazide
SMILESCC(C)(C)c1ocnc1C(=O)NN
InChIInChI=1S/C8H13N3O2/c1-8(2,3)6-5(7(12)11-9)10-4-13-6/h4H,9H2,1-3H3,(H,11,12)
InChIKeyRJUORJRQFRIWHZ-UHFFFAOYSA-N
XLogP0.58
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-tert-butyl-1,3-oxazole-4-carbohydrazide?
The IUPAC name of 5-tert-butyl-1,3-oxazole-4-carbohydrazide (CID 71671584) is 5-tert-butyl-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for 5-tert-butyl-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for 5-tert-butyl-1,3-oxazole-4-carbohydrazide is CC(C)(C)c1ocnc1C(=O)NN.
What is the InChIKey of 5-tert-butyl-1,3-oxazole-4-carbohydrazide?
The InChIKey is RJUORJRQFRIWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)6-5(7(12)11-9)10-4-13-6/h4H,9H2,1-3H3,(H,11,12).
What are the key properties of 5-tert-butyl-1,3-oxazole-4-carbohydrazide?
5-tert-butyl-1,3-oxazole-4-carbohydrazide has a molecular weight of 183.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 71671584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).