Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate

C₁₇H₁₅N₃O₃ — CID 156785092

About Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate

Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate (PubChem CID 156785092) has the molecular formula C₁₇H₁₅N₃O₃ and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate.

Molecular Properties

• Compound Name: Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate
• PubChem CID: 156785092
• Molecular Formula: C₁₇H₁₅N₃O₃
• Molecular Weight: 309.33 g/mol
• Exact Mass: 309.11
• IUPAC Name: methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate
• SMILES: COC(=O)c1ccccc1Nc1oc(N)nc1-c1ccccc1
• InChI: InChI=1S/C17H15N3O3/c1-22-16(21)12-9-5-6-10-13(12)19-15-14(20-17(18)23-15)11-7-3-2-4-8-11/h2-10,19H,1H3,(H2,18,20)
• InChIKey: RPJFLOWANGVJET-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 90.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.33
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate?

The IUPAC name of Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate (CID 156785092) is methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate.

What is the SMILES notation for Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate?

The canonical SMILES for Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate is COC(=O)c1ccccc1Nc1oc(N)nc1-c1ccccc1.

What is the InChIKey of Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate?

The InChIKey is RPJFLOWANGVJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-22-16(21)12-9-5-6-10-13(12)19-15-14(20-17(18)23-15)11-7-3-2-4-8-11/h2-10,19H,1H3,(H2,18,20).

What are the key properties of Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate?

Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate has a molecular weight of 309.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[(2-amino-4-phenyl-1,3-oxazol-5-yl)amino]benzoate is sourced from PubChem (CID 156785092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156785092 — identifiers, structure, computed properties (public domain)

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