4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride

C16H14ClN3O — CID 16658981

IUPAC4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C16H13N3O.ClH/c17-16(18)13-8-6-11(7-9-13)14-10-15(20-19-14)12-4-2-1-3-5-12;/h1-10H,(H3,17,18);1H
InChIKeyFGHQYWSGASJOEH-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.71
Rot. Bonds3

About 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride

4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride (PubChem CID 16658981) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
PubChem CID16658981
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C16H13N3O.ClH/c17-16(18)13-8-6-11(7-9-13)14-10-15(20-19-14)12-4-2-1-3-5-12;/h1-10H,(H3,17,18);1H
InChIKeyFGHQYWSGASJOEH-UHFFFAOYSA-N
XLogP3.71
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.71
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 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride (CID 16658981) is 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(-c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride?
The InChIKey is FGHQYWSGASJOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O.ClH/c17-16(18)13-8-6-11(7-9-13)14-10-15(20-19-14)12-4-2-1-3-5-12;/h1-10H,(H3,17,18);1H.
What are the key properties of 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride?
4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride has a molecular weight of 299.76 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 16658981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).