3,5-diphenyl-2,5-dihydro-1,2-oxazole

C15H13NO — CID 90723559

IUPAC3,5-diphenyl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccccc2)NOC1c1ccccc1
InChIInChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11,15-16H
InChIKeyUNFBDEMAKHXENK-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.30
Rot. Bonds2

About 3,5-diphenyl-2,5-dihydro-1,2-oxazole

3,5-diphenyl-2,5-dihydro-1,2-oxazole (PubChem CID 90723559) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3,5-diphenyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,5-diphenyl-2,5-dihydro-1,2-oxazole
PubChem CID90723559
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3,5-diphenyl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccccc2)NOC1c1ccccc1
InChIInChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11,15-16H
InChIKeyUNFBDEMAKHXENK-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3,5-diphenyl-2,5-dihydro-1,2-oxazole (CID 90723559) is 3,5-diphenyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,5-diphenyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,5-diphenyl-2,5-dihydro-1,2-oxazole is C1=C(c2ccccc2)NOC1c1ccccc1.
What is the InChIKey of 3,5-diphenyl-2,5-dihydro-1,2-oxazole?
The InChIKey is UNFBDEMAKHXENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11,15-16H.
What are the key properties of 3,5-diphenyl-2,5-dihydro-1,2-oxazole?
3,5-diphenyl-2,5-dihydro-1,2-oxazole has a molecular weight of 223.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90723559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).