3-tert-butyl-1,2-oxazole-5-carboximidamide

C8H13N3O — CID 58057178

IUPAC3-tert-butyl-1,2-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(C(C)(C)C)no1
InChIInChI=1S/C8H13N3O/c1-8(2,3)6-4-5(7(9)10)12-11-6/h4H,1-3H3,(H3,9,10)
InChIKeyYFJIYKJECMZVIY-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.26
Rot. Bonds1

About 3-tert-butyl-1,2-oxazole-5-carboximidamide

3-tert-butyl-1,2-oxazole-5-carboximidamide (PubChem CID 58057178) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-tert-butyl-1,2-oxazole-5-carboximidamide.

Molecular Properties

Compound Name3-tert-butyl-1,2-oxazole-5-carboximidamide
PubChem CID58057178
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-tert-butyl-1,2-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(C(C)(C)C)no1
InChIInChI=1S/C8H13N3O/c1-8(2,3)6-4-5(7(9)10)12-11-6/h4H,1-3H3,(H3,9,10)
InChIKeyYFJIYKJECMZVIY-UHFFFAOYSA-N
XLogP1.26
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2-oxazole-5-carboximidamide?
The IUPAC name of 3-tert-butyl-1,2-oxazole-5-carboximidamide (CID 58057178) is 3-tert-butyl-1,2-oxazole-5-carboximidamide.
What is the SMILES notation for 3-tert-butyl-1,2-oxazole-5-carboximidamide?
The canonical SMILES for 3-tert-butyl-1,2-oxazole-5-carboximidamide is [H]/N=C(\N)c1cc(C(C)(C)C)no1.
What is the InChIKey of 3-tert-butyl-1,2-oxazole-5-carboximidamide?
The InChIKey is YFJIYKJECMZVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,3)6-4-5(7(9)10)12-11-6/h4H,1-3H3,(H3,9,10).
What are the key properties of 3-tert-butyl-1,2-oxazole-5-carboximidamide?
3-tert-butyl-1,2-oxazole-5-carboximidamide has a molecular weight of 167.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2-oxazole-5-carboximidamide is sourced from PubChem (CID 58057178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).