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

C16H13N3O — CID 16658982

IUPAC4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C16H13N3O/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)
InChIKeyLBJLSCITQUDAQD-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.29
Rot. Bonds3

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

4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide (PubChem CID 16658982) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide
PubChem CID16658982
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C16H13N3O/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)
InChIKeyLBJLSCITQUDAQD-UHFFFAOYSA-N
XLogP3.29
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.29
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?
The IUPAC name of 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide (CID 16658982) is 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide?
The canonical SMILES for 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide?
The InChIKey is LBJLSCITQUDAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/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).
What are the key properties of 4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide?
4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide has a molecular weight of 263.30 g/mol, XLogP of 3.29, 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 is sourced from PubChem (CID 16658982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).