2-cyclopropyl-1,3-benzoxazole-6-carboximidamide

C11H11N3O — CID 83880905

IUPAC2-cyclopropyl-1,3-benzoxazole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C11H11N3O/c12-10(13)7-3-4-8-9(5-7)15-11(14-8)6-1-2-6/h3-6H,1-2H2,(H3,12,13)
InChIKeyGZWFOVIKDNZGMY-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.99
Rot. Bonds2

About 2-cyclopropyl-1,3-benzoxazole-6-carboximidamide

2-cyclopropyl-1,3-benzoxazole-6-carboximidamide (PubChem CID 83880905) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-benzoxazole-6-carboximidamide.

Molecular Properties

Compound Name2-cyclopropyl-1,3-benzoxazole-6-carboximidamide
PubChem CID83880905
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-cyclopropyl-1,3-benzoxazole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C11H11N3O/c12-10(13)7-3-4-8-9(5-7)15-11(14-8)6-1-2-6/h3-6H,1-2H2,(H3,12,13)
InChIKeyGZWFOVIKDNZGMY-UHFFFAOYSA-N
XLogP1.99
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.99
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-cyclopropyl-1,3-benzoxazole-6-carboximidamide?
The IUPAC name of 2-cyclopropyl-1,3-benzoxazole-6-carboximidamide (CID 83880905) is 2-cyclopropyl-1,3-benzoxazole-6-carboximidamide.
What is the SMILES notation for 2-cyclopropyl-1,3-benzoxazole-6-carboximidamide?
The canonical SMILES for 2-cyclopropyl-1,3-benzoxazole-6-carboximidamide is [H]/N=C(\N)c1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of 2-cyclopropyl-1,3-benzoxazole-6-carboximidamide?
The InChIKey is GZWFOVIKDNZGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-10(13)7-3-4-8-9(5-7)15-11(14-8)6-1-2-6/h3-6H,1-2H2,(H3,12,13).
What are the key properties of 2-cyclopropyl-1,3-benzoxazole-6-carboximidamide?
2-cyclopropyl-1,3-benzoxazole-6-carboximidamide has a molecular weight of 201.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-benzoxazole-6-carboximidamide is sourced from PubChem (CID 83880905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).