4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one

C16H11NO3 — CID 736265

IUPAC4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C16H11NO3/c18-15(12-9-5-2-6-10-12)13-14(17-20-16(13)19)11-7-3-1-4-8-11/h1-10,17H
InChIKeyLEZIJKQVDLLCKA-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.87
Rot. Bonds3

About 4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one

4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 736265) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one
PubChem CID736265
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)[nH]oc1=O
InChIInChI=1S/C16H11NO3/c18-15(12-9-5-2-6-10-12)13-14(17-20-16(13)19)11-7-3-1-4-8-11/h1-10,17H
InChIKeyLEZIJKQVDLLCKA-UHFFFAOYSA-N
XLogP2.87
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one (CID 736265) is 4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one is O=C(c1ccccc1)c1c(-c2ccccc2)[nH]oc1=O.
What is the InChIKey of 4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is LEZIJKQVDLLCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15(12-9-5-2-6-10-12)13-14(17-20-16(13)19)11-7-3-1-4-8-11/h1-10,17H.
What are the key properties of 4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one?
4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one has a molecular weight of 265.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-3-phenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 736265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).