5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole

C15H13NO — CID 162348676

IUPAC5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C15H13NO/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-17-15/h1-9,11,15H,10H2
InChIKeyIOQXIOSSEMSXPJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.80
Rot. Bonds2

About 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole

5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 162348676) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID162348676
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C15H13NO/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-17-15/h1-9,11,15H,10H2
InChIKeyIOQXIOSSEMSXPJ-UHFFFAOYSA-N
XLogP3.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole (CID 162348676) is 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole is C1=NOC(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is IOQXIOSSEMSXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-17-15/h1-9,11,15H,10H2.
What are the key properties of 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole?
5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 223.28 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 162348676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).