2-chloro-1,3-oxazole-4-carboximidamide

C4H4ClN3O — CID 76853027

IUPAC2-chloro-1,3-oxazole-4-carboximidamide
SMILES[H]/N=C(\N)c1coc(Cl)n1
InChIInChI=1S/C4H4ClN3O/c5-4-8-2(1-9-4)3(6)7/h1H,(H3,6,7)
InChIKeyGDUZEIYATIIDCE-UHFFFAOYSA-N
MW145.55 g/mol
LogP0.61
Rot. Bonds1

About 2-chloro-1,3-oxazole-4-carboximidamide

2-chloro-1,3-oxazole-4-carboximidamide (PubChem CID 76853027) has the molecular formula C4H4ClN3O and a molecular weight of 145.55 g/mol. Its IUPAC name is 2-chloro-1,3-oxazole-4-carboximidamide.

Molecular Properties

Compound Name2-chloro-1,3-oxazole-4-carboximidamide
PubChem CID76853027
Molecular FormulaC4H4ClN3O
Molecular Weight145.55 g/mol
Exact Mass145.00
IUPAC Name2-chloro-1,3-oxazole-4-carboximidamide
SMILES[H]/N=C(\N)c1coc(Cl)n1
InChIInChI=1S/C4H4ClN3O/c5-4-8-2(1-9-4)3(6)7/h1H,(H3,6,7)
InChIKeyGDUZEIYATIIDCE-UHFFFAOYSA-N
XLogP0.61
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.55
LogP ≤ 50.61
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 2-chloro-1,3-oxazole-4-carboximidamide?
The IUPAC name of 2-chloro-1,3-oxazole-4-carboximidamide (CID 76853027) is 2-chloro-1,3-oxazole-4-carboximidamide.
What is the SMILES notation for 2-chloro-1,3-oxazole-4-carboximidamide?
The canonical SMILES for 2-chloro-1,3-oxazole-4-carboximidamide is [H]/N=C(\N)c1coc(Cl)n1.
What is the InChIKey of 2-chloro-1,3-oxazole-4-carboximidamide?
The InChIKey is GDUZEIYATIIDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3O/c5-4-8-2(1-9-4)3(6)7/h1H,(H3,6,7).
What are the key properties of 2-chloro-1,3-oxazole-4-carboximidamide?
2-chloro-1,3-oxazole-4-carboximidamide has a molecular weight of 145.55 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-oxazole-4-carboximidamide is sourced from PubChem (CID 76853027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).