4-benzoyl-2-phenyl-1,4-benzoxazin-3-one

C21H15NO3 — CID 3254714

IUPAC4-benzoyl-2-phenyl-1,4-benzoxazin-3-one
SMILESO=C(c1ccccc1)N1C(=O)C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C21H15NO3/c23-20(16-11-5-2-6-12-16)22-17-13-7-8-14-18(17)25-19(21(22)24)15-9-3-1-4-10-15/h1-14,19H
InChIKeySKUGMJYGUNVEJD-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.99
Rot. Bonds2

About 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one

4-benzoyl-2-phenyl-1,4-benzoxazin-3-one (PubChem CID 3254714) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-benzoyl-2-phenyl-1,4-benzoxazin-3-one
PubChem CID3254714
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name4-benzoyl-2-phenyl-1,4-benzoxazin-3-one
SMILESO=C(c1ccccc1)N1C(=O)C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C21H15NO3/c23-20(16-11-5-2-6-12-16)22-17-13-7-8-14-18(17)25-19(21(22)24)15-9-3-1-4-10-15/h1-14,19H
InChIKeySKUGMJYGUNVEJD-UHFFFAOYSA-N
XLogP3.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one (CID 3254714) is 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one is O=C(c1ccccc1)N1C(=O)C(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one?
The InChIKey is SKUGMJYGUNVEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-20(16-11-5-2-6-12-16)22-17-13-7-8-14-18(17)25-19(21(22)24)15-9-3-1-4-10-15/h1-14,19H.
What are the key properties of 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one?
4-benzoyl-2-phenyl-1,4-benzoxazin-3-one has a molecular weight of 329.36 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-2-phenyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 3254714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).