2,4-dibenzyl-4H-1,3-oxazol-5-one

C17H15NO2 — CID 12887263

IUPAC2,4-dibenzyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(Cc2ccccc2)=NC1Cc1ccccc1
InChIInChI=1S/C17H15NO2/c19-17-15(11-13-7-3-1-4-8-13)18-16(20-17)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyNJPDNFPNUXIASL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.80
Rot. Bonds4

About 2,4-dibenzyl-4H-1,3-oxazol-5-one

2,4-dibenzyl-4H-1,3-oxazol-5-one (PubChem CID 12887263) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,4-dibenzyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2,4-dibenzyl-4H-1,3-oxazol-5-one
PubChem CID12887263
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2,4-dibenzyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(Cc2ccccc2)=NC1Cc1ccccc1
InChIInChI=1S/C17H15NO2/c19-17-15(11-13-7-3-1-4-8-13)18-16(20-17)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyNJPDNFPNUXIASL-UHFFFAOYSA-N
XLogP2.80
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-4H-1,3-oxazol-5-one?
The IUPAC name of 2,4-dibenzyl-4H-1,3-oxazol-5-one (CID 12887263) is 2,4-dibenzyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2,4-dibenzyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2,4-dibenzyl-4H-1,3-oxazol-5-one is O=C1OC(Cc2ccccc2)=NC1Cc1ccccc1.
What is the InChIKey of 2,4-dibenzyl-4H-1,3-oxazol-5-one?
The InChIKey is NJPDNFPNUXIASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17-15(11-13-7-3-1-4-8-13)18-16(20-17)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of 2,4-dibenzyl-4H-1,3-oxazol-5-one?
2,4-dibenzyl-4H-1,3-oxazol-5-one has a molecular weight of 265.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 12887263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).