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

C16H13N3O — CID 11990396

IUPAC4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H13N3O/c17-16(18)13-8-6-12(7-9-13)15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H3,17,18)
InChIKeyYVZKJNMWBMWNRQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.29
Rot. Bonds3

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

4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide (PubChem CID 11990396) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide
PubChem CID11990396
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H13N3O/c17-16(18)13-8-6-12(7-9-13)15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H3,17,18)
InChIKeyYVZKJNMWBMWNRQ-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide?
The IUPAC name of 4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide (CID 11990396) is 4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide?
The canonical SMILES for 4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of 4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide?
The InChIKey is YVZKJNMWBMWNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16(18)13-8-6-12(7-9-13)15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H3,17,18).
What are the key properties of 4-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide?
4-(3-phenyl-1,2-oxazol-5-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-(3-phenyl-1,2-oxazol-5-yl)benzenecarboximidamide is sourced from PubChem (CID 11990396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).