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

C21H13NO3 — CID 23126063

IUPAC5-benzoyl-2-phenyl-3,1-benzoxazin-4-one
SMILESO=C(c1ccccc1)c1cccc2nc(-c3ccccc3)oc(=O)c12
InChIInChI=1S/C21H13NO3/c23-19(14-8-3-1-4-9-14)16-12-7-13-17-18(16)21(24)25-20(22-17)15-10-5-2-6-11-15/h1-13H
InChIKeyPTOBKDFBDYEJDF-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.09
Rot. Bonds3

About 5-benzoyl-2-phenyl-3,1-benzoxazin-4-one

5-benzoyl-2-phenyl-3,1-benzoxazin-4-one (PubChem CID 23126063) has the molecular formula C21H13NO3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-benzoyl-2-phenyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-benzoyl-2-phenyl-3,1-benzoxazin-4-one
PubChem CID23126063
Molecular FormulaC21H13NO3
Molecular Weight327.34 g/mol
Exact Mass327.09
IUPAC Name5-benzoyl-2-phenyl-3,1-benzoxazin-4-one
SMILESO=C(c1ccccc1)c1cccc2nc(-c3ccccc3)oc(=O)c12
InChIInChI=1S/C21H13NO3/c23-19(14-8-3-1-4-9-14)16-12-7-13-17-18(16)21(24)25-20(22-17)15-10-5-2-6-11-15/h1-13H
InChIKeyPTOBKDFBDYEJDF-UHFFFAOYSA-N
XLogP4.09
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-phenyl-3,1-benzoxazin-4-one
CID 141051970
1-benzoylbenzo[c]chromen-6-one
CID 21258648
CID 68568728
CID 68568728
5-chloro-2-phenyl-3,1-benzoxazin-4-one;2-[3-(difluoromethoxy)phenyl]-5-fluoro-3,1-benzoxazin-4-one
CID 70521864
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
(4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone
CID 142481869
2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid
CID 158103086
6-fluoro-2-phenyl-3,1-benzoxazin-4-one
CID 10014554
2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
CID 694866
3-(1,3-benzoxazol-2-yl)benzoic acid;carbon dioxide
CID 158023892
2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid
CID 59625768
methyl 7-chloro-2-phenyl-[1,3]oxazolo[5,4-f]quinoline-9-carboxylate
CID 88850339

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2-phenyl-3,1-benzoxazin-4-one?
The IUPAC name of 5-benzoyl-2-phenyl-3,1-benzoxazin-4-one (CID 23126063) is 5-benzoyl-2-phenyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-benzoyl-2-phenyl-3,1-benzoxazin-4-one?
The canonical SMILES for 5-benzoyl-2-phenyl-3,1-benzoxazin-4-one is O=C(c1ccccc1)c1cccc2nc(-c3ccccc3)oc(=O)c12.
What is the InChIKey of 5-benzoyl-2-phenyl-3,1-benzoxazin-4-one?
The InChIKey is PTOBKDFBDYEJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO3/c23-19(14-8-3-1-4-9-14)16-12-7-13-17-18(16)21(24)25-20(22-17)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 5-benzoyl-2-phenyl-3,1-benzoxazin-4-one?
5-benzoyl-2-phenyl-3,1-benzoxazin-4-one has a molecular weight of 327.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-2-phenyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 23126063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).